53465556 -OEChem-05102403122D 69 72 0 1 0 0 0 0 0999 V2000 12.0632 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0632 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0632 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 -0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0791 -1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4776 -0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5398 2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1413 3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5866 1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9851 0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 3.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 3.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9851 3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5866 2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 22 1 0 0 0 0 2 20 1 0 0 0 0 2 63 1 0 0 0 0 5 21 1 0 0 0 0 5 67 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 19 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 18 1 0 0 0 0 8 34 1 0 0 0 0 9 12 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 13 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 14 1 0 0 0 0 11 20 1 1 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 16 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 17 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 21 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 23 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 24 1 0 0 0 0 22 28 2 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 31 2 0 0 0 0 25 29 2 0 0 0 0 25 30 1 0 0 0 0 26 29 1 0 0 0 0 26 60 1 0 0 0 0 27 30 2 0 0 0 0 27 61 1 0 0 0 0 28 32 1 0 0 0 0 28 62 1 0 0 0 0 29 64 1 0 0 0 0 30 65 1 0 0 0 0 31 33 1 0 0 0 0 31 66 1 0 0 0 0 32 33 2 0 0 0 0 32 68 1 0 0 0 0 33 69 1 0 0 0 0 M END > 53465556 > 1 > 681 > 6 > 2 > 8 > AAADcfB7OABAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAAABQAAAHgQASAAADSjh2AYwAYMAAgKAAiBCAHDCABAgAAAIiBgIBIgKMCKAkRGEYAhkgACYiAeQ0MIOwAAAAAAEAACAAAAAAAgAAAAAAAAAAA== > 2-[1-[[4-[2-[[(2S)-2-(hydroxymethyl)-1-piperidyl]sulfonyl]phenyl]phenyl]methyl]-4-piperidyl]ethanol > 2-[1-[[4-[2-[[(2S)-2-(hydroxymethyl)-1-piperidinyl]sulfonyl]phenyl]phenyl]methyl]-4-piperidinyl]ethanol > 2-[1-[[4-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]phenyl]methyl]piperidin-4-yl]ethanol > 2-[1-[[4-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]phenyl]methyl]piperidin-4-yl]ethanol > 2-[1-[[4-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]phenyl]methyl]piperidin-4-yl]ethanol > 2-[1-[4-[2-[(2S)-2-methylolpiperidino]sulfonylphenyl]benzyl]-4-piperidyl]ethanol > InChI=1S/C26H36N2O4S/c29-18-14-21-12-16-27(17-13-21)19-22-8-10-23(11-9-22)25-6-1-2-7-26(25)33(31,32)28-15-4-3-5-24(28)20-30/h1-2,6-11,21,24,29-30H,3-5,12-20H2/t24-/m0/s1 > PXMRCXLAHHSQJX-DEOSSOPVSA-N > 3.2 > 472.23957881 > C26H36N2O4S > 472.6 > C1CCN(C(C1)CO)S(=O)(=O)C2=CC=CC=C2C3=CC=C(C=C3)CN4CCC(CC4)CCO > C1CCN([C@@H](C1)CO)S(=O)(=O)C2=CC=CC=C2C3=CC=C(C=C3)CN4CCC(CC4)CCO > 89.5 > 472.23957881 > 0 > 33 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 20 5 22 24 8 22 28 8 23 26 8 23 27 8 24 31 8 25 29 8 25 30 8 26 29 8 27 30 8 28 32 8 31 33 8 32 33 8 $$$$