44263578 -OEChem-03292410502D 56 59 0 1 0 0 0 0 0999 V2000 5.6258 -0.2645 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6477 -0.0566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6040 -0.4724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1780 3.7622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2916 0.9251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2916 -0.6843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3370 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8338 0.7137 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.1646 1.4568 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7473 1.1204 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1701 1.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6428 2.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6646 2.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6133 0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 2.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4179 -1.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 2.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3859 2.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4793 1.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6133 -0.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3454 0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4793 -0.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4669 -1.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1611 -1.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3454 -0.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2589 -2.5298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9532 -2.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0021 -3.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8752 0.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7942 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9424 0.8780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7148 0.5013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6128 1.0805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3410 0.7563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4124 2.8892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1396 2.4331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4114 2.7573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0305 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7587 1.4608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4793 1.7404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0764 -0.6896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4793 -1.4996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0061 -1.1368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7507 -1.7202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 3.2302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 3.3674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 2.5014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6693 -2.7214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4139 -3.3048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6387 4.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3361 -0.2943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3361 0.5351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1877 -4.0482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6653 -4.7835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4006 -4.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 8 1 0 0 0 0 1 16 1 0 0 0 0 4 18 1 0 0 0 0 4 51 1 0 0 0 0 5 21 1 0 0 0 0 5 30 1 0 0 0 0 6 25 1 0 0 0 0 6 30 1 0 0 0 0 7 18 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 6 0 0 0 9 13 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 6 0 0 0 10 33 1 0 0 0 0 11 15 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 36 1 0 0 0 0 14 19 2 0 0 0 0 14 20 1 0 0 0 0 15 17 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 23 2 0 0 0 0 16 24 1 0 0 0 0 17 26 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 19 21 1 0 0 0 0 19 41 1 0 0 0 0 20 22 2 0 0 0 0 20 42 1 0 0 0 0 21 25 2 0 0 0 0 22 25 1 0 0 0 0 22 43 1 0 0 0 0 23 27 1 0 0 0 0 23 44 1 0 0 0 0 24 28 2 0 0 0 0 24 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 29 2 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 31 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 M END > 44263578 > 1 > 782 > 7 > 1 > 7 > AAADceB6OABAAAAAAAAAAAAAAAAAASIAAAAwYAAAAAAAAEgBQAAAHgQASAAADCzB2AcyD4IABgKIAiDSCHDCCBAgIAAIiBkOjMgdJjqEsRukcCpmwBGOuYe42LOOMAABAAAAQABgAAIAAACAAAAAAAAAAA== > (2S,5R)-2-(1,3-benzodioxol-5-yl)-5-butyl-1-(p-tolylsulfonyl)-2,5-dihydropyrrole-3-carboxylic acid > (2S,5R)-2-(1,3-benzodioxol-5-yl)-5-butyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid > (2S,5R)-2-(1,3-benzodioxol-5-yl)-5-butyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid > (2S,5R)-2-(1,3-benzodioxol-5-yl)-5-butyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid > (2S,5R)-2-(1,3-benzodioxol-5-yl)-5-butyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid > (2S,5R)-2-(1,3-benzodioxol-5-yl)-5-butyl-1-tosyl-3-pyrroline-3-carboxylic acid > InChI=1S/C23H25NO6S/c1-3-4-5-17-13-19(23(25)26)22(16-8-11-20-21(12-16)30-14-29-20)24(17)31(27,28)18-9-6-15(2)7-10-18/h6-13,17,22H,3-5,14H2,1-2H3,(H,25,26)/t17-,22+/m1/s1 > RWVGHISMBXXDIU-VGSWGCGISA-N > 4.2 > 443.14025869 > C23H25NO6S > 443.5 > CCCCC1C=C(C(N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC4=C(C=C3)OCO4)C(=O)O > CCCC[C@@H]1C=C([C@@H](N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC4=C(C=C3)OCO4)C(=O)O > 102 > 443.14025869 > 0 > 31 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 14 6 14 19 8 14 20 8 16 23 8 16 24 8 19 21 8 20 22 8 21 25 8 22 25 8 23 27 8 24 28 8 27 29 8 28 29 8 9 11 6 $$$$