51358994 -OEChem-05082416032D 89 94 0 1 0 0 0 0 0999 V2000 5.4641 -0.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 2.2742 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4909 3.1382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4976 1.4101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.1301 1.7708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 0.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2241 0.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.7292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2241 2.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 0.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8583 2.7775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9904 -0.7741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8545 -1.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 0.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7224 -0.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 2.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8545 3.7775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5865 -1.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5904 2.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7186 4.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5865 3.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5826 -2.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4506 4.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3236 -0.1000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8195 -0.2544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6177 -0.2637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6677 1.0381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6177 2.7637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8195 2.7544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4522 -1.0821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8646 1.3425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 3.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 3.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8521 -1.8975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2644 0.5271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7287 1.6608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3163 4.0854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 4.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 4.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1967 -1.3942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8008 -0.7024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1285 2.4762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7162 4.9008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9627 -2.2818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5803 -2.9041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2026 -2.2865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 -4.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 -4.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7627 3.7518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9863 4.5996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1385 4.8232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 8 1 0 0 0 0 1 20 1 0 0 0 0 2 6 2 0 0 0 0 2 7 2 0 0 0 0 2 9 1 0 0 0 0 2 21 1 0 0 0 0 3 17 1 0 0 0 0 3 26 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 48 1 1 0 0 0 11 13 1 0 0 0 0 11 49 1 0 0 0 0 11 50 1 0 0 0 0 12 15 1 0 0 0 0 12 17 2 0 0 0 0 13 18 1 6 0 0 0 13 51 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 14 52 1 0 0 0 0 15 53 1 0 0 0 0 15 54 1 0 0 0 0 16 17 1 0 0 0 0 16 55 1 0 0 0 0 16 56 1 0 0 0 0 18 22 2 0 0 0 0 18 23 1 0 0 0 0 19 24 2 0 0 0 0 19 25 1 0 0 0 0 20 29 2 0 0 0 0 20 30 1 0 0 0 0 21 32 2 0 0 0 0 21 33 1 0 0 0 0 22 27 1 0 0 0 0 22 57 1 0 0 0 0 23 28 2 0 0 0 0 23 58 1 0 0 0 0 24 34 1 0 0 0 0 24 59 1 0 0 0 0 25 35 2 0 0 0 0 25 60 1 0 0 0 0 26 37 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 31 2 0 0 0 0 27 63 1 0 0 0 0 28 31 1 0 0 0 0 28 64 1 0 0 0 0 29 38 1 0 0 0 0 29 65 1 0 0 0 0 30 39 2 0 0 0 0 30 66 1 0 0 0 0 31 40 1 0 0 0 0 32 42 1 0 0 0 0 32 67 1 0 0 0 0 33 43 2 0 0 0 0 33 68 1 0 0 0 0 34 36 2 0 0 0 0 34 69 1 0 0 0 0 35 36 1 0 0 0 0 35 70 1 0 0 0 0 36 71 1 0 0 0 0 37 72 1 0 0 0 0 37 73 1 0 0 0 0 37 74 1 0 0 0 0 38 41 2 0 0 0 0 38 75 1 0 0 0 0 39 41 1 0 0 0 0 39 76 1 0 0 0 0 40 45 1 0 0 0 0 40 77 1 0 0 0 0 40 78 1 0 0 0 0 41 46 1 0 0 0 0 42 44 2 0 0 0 0 42 79 1 0 0 0 0 43 44 1 0 0 0 0 43 80 1 0 0 0 0 44 47 1 0 0 0 0 45 81 1 0 0 0 0 45 82 1 0 0 0 0 45 83 1 0 0 0 0 46 84 1 0 0 0 0 46 85 1 0 0 0 0 46 86 1 0 0 0 0 47 87 1 0 0 0 0 47 88 1 0 0 0 0 47 89 1 0 0 0 0 M END > 51358994 > 1 > 1270 > 7 > 0 > 9 > AAADcfB/OABgAAAAAAAAAAAAAAAAAAAAAAA8YMGCAAAAAACBVAAAHgQAQAAADCzh2AYyAYIABAKAAiBCAHDCCBAgIAAIiBgIBIgIICKA0RGGIAhmgACIiAeQwOAOUAAAAAAAAACgAAAAAAAAAAAAAAAAAA== > (2S,7S,8aS)-4-ethoxy-7-(4-ethylphenyl)-2-phenyl-1,6-bis(p-tolylsulfonyl)-2,3,5,7,8,8a-hexahydro-1,6-naphthyridine > (2S,7S,8aS)-4-ethoxy-7-(4-ethylphenyl)-1,6-bis-(4-methylphenyl)sulfonyl-2-phenyl-2,3,5,7,8,8a-hexahydro-1,6-naphthyridine > (2S,7S,8aS)-4-ethoxy-7-(4-ethylphenyl)-1,6-bis-(4-methylphenyl)sulfonyl-2-phenyl-2,3,5,7,8,8a-hexahydro-1,6-naphthyridine > (2S,7S,8aS)-4-ethoxy-7-(4-ethylphenyl)-1,6-bis-(4-methylphenyl)sulfonyl-2-phenyl-2,3,5,7,8,8a-hexahydro-1,6-naphthyridine > (2S,7S,8aS)-4-ethoxy-7-(4-ethylphenyl)-1,6-bis-(4-methylphenyl)sulfonyl-2-phenyl-2,3,5,7,8,8a-hexahydro-1,6-naphthyridine > (2S,7S,8aS)-4-ethoxy-7-(4-ethylphenyl)-2-phenyl-1,6-ditosyl-2,3,5,7,8,8a-hexahydro-1,6-naphthyridine > InChI=1S/C38H42N2O5S2/c1-5-29-16-18-31(19-17-29)35-24-37-34(26-39(35)46(41,42)32-20-12-27(3)13-21-32)38(45-6-2)25-36(30-10-8-7-9-11-30)40(37)47(43,44)33-22-14-28(4)15-23-33/h7-23,35-37H,5-6,24-26H2,1-4H3/t35-,36-,37-/m0/s1 > QZFAGFDXGYDOFE-FSEITFBQSA-N > 6.8 > 670.25351479 > C38H42N2O5S2 > 670.9 > CCC1=CC=C(C=C1)C2CC3C(=C(CC(N3S(=O)(=O)C4=CC=C(C=C4)C)C5=CC=CC=C5)OCC)CN2S(=O)(=O)C6=CC=C(C=C6)C > CCC1=CC=C(C=C1)[C@@H]2C[C@H]3C(=C(C[C@H](N3S(=O)(=O)C4=CC=C(C=C4)C)C5=CC=CC=C5)OCC)CN2S(=O)(=O)C6=CC=C(C=C6)C > 101 > 670.25351479 > 0 > 47 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 48 5 13 18 6 14 19 6 18 22 8 18 23 8 19 24 8 19 25 8 20 29 8 20 30 8 21 32 8 21 33 8 22 27 8 23 28 8 24 34 8 25 35 8 27 31 8 28 31 8 29 38 8 30 39 8 32 42 8 33 43 8 34 36 8 35 36 8 38 41 8 39 41 8 42 44 8 43 44 8 $$$$