60185359 -OEChem-05062418102D 75 80 0 1 0 0 0 0 0999 V2000 7.4355 -2.0600 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.4977 2.4400 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5695 4.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4355 -2.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4355 -2.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1675 3.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5840 0.8064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3015 2.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4355 -1.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6232 2.7447 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0336 2.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4355 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5695 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3015 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3015 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5695 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5695 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4355 2.9400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5695 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3015 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6232 1.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0396 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4355 3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1675 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2159 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0082 1.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4355 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1869 0.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5790 0.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5695 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3015 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8996 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5695 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3015 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4355 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7656 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8996 3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7034 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6316 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7656 4.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6316 3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3574 1.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9589 0.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9121 0.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5136 1.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5136 0.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9121 1.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9724 3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9589 -0.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3574 -1.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5136 -1.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9121 -0.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4306 3.3340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0461 3.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6475 4.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5857 -0.3144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6501 2.3546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9364 -0.4991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0336 1.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5695 5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0325 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8384 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8384 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4355 -5.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7656 1.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3627 4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5033 1.9802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6379 2.1215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4967 1.2561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3934 -4.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1665 -5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0134 -5.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7656 5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1686 4.2500 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 9 1 0 0 0 0 1 27 1 0 0 0 0 2 40 1 0 0 0 0 3 23 1 0 0 0 0 3 61 1 0 0 0 0 6 24 2 0 0 0 0 7 29 1 0 0 0 0 7 38 1 0 0 0 0 8 15 1 0 0 0 0 8 18 1 0 0 0 0 8 24 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 17 1 0 0 0 0 10 22 1 0 0 0 0 10 54 1 0 0 0 0 11 24 1 0 0 0 0 11 32 1 0 0 0 0 11 60 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 13 19 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 20 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 18 23 1 1 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 25 28 2 0 0 0 0 25 57 1 0 0 0 0 26 29 2 0 0 0 0 26 58 1 0 0 0 0 27 30 1 0 0 0 0 27 31 2 0 0 0 0 28 29 1 0 0 0 0 28 59 1 0 0 0 0 30 33 2 0 0 0 0 30 62 1 0 0 0 0 31 34 1 0 0 0 0 31 63 1 0 0 0 0 32 36 2 0 0 0 0 32 37 1 0 0 0 0 33 35 1 0 0 0 0 33 39 1 0 0 0 0 34 35 2 0 0 0 0 34 64 1 0 0 0 0 35 65 1 0 0 0 0 36 40 1 0 0 0 0 36 66 1 0 0 0 0 37 41 2 0 0 0 0 37 67 1 0 0 0 0 38 68 1 0 0 0 0 38 69 1 0 0 0 0 38 70 1 0 0 0 0 39 71 1 0 0 0 0 39 72 1 0 0 0 0 39 73 1 0 0 0 0 40 42 2 0 0 0 0 41 42 1 0 0 0 0 41 74 1 0 0 0 0 42 75 1 0 0 0 0 M END > 60185359 > 1 > 1070 > 7 > 3 > 5 > AAADcfB7uQBAAAAAAAAAAAAAAAAAAWAAAAA8eMECAAAAAFgB9AAAHwQQSAAADizh3g4zx/PJlgKoAyRiVHDCiDAhIiAImTg+bJiOduLEsZuUcChu1hvY6CeQ0PMPoAAAggACAABAAAEEAAQAAAAAAAAAAA== > (1S)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-(m-tolylsulfonyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-carboxamide > (1S)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-(3-methylphenyl)sulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide > (1S)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-(3-methylphenyl)sulfonylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-carboxamide > (1S)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-(3-methylphenyl)sulfonylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-carboxamide > (1S)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-(3-methylphenyl)sulfonyl-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-carboxamide > (1S)-N-(3-fluorophenyl)-7-methoxy-1-methylol-1'-(m-tolylsulfonyl)spiro[3,9-dihydro-1H-beta-carboline-4,4'-piperidine]-2-carboxamide > InChI=1S/C31H33FN4O5S/c1-20-5-3-8-24(15-20)42(39,40)35-13-11-31(12-14-35)19-36(30(38)33-22-7-4-6-21(32)16-22)27(18-37)29-28(31)25-10-9-23(41-2)17-26(25)34-29/h3-10,15-17,27,34,37H,11-14,18-19H2,1-2H3,(H,33,38)/t27-/m1/s1 > LFOOAYMMTLFPQJ-HHHXNRCGSA-N > 3.7 > 592.21556950 > C31H33FN4O5S > 592.7 > CC1=CC(=CC=C1)S(=O)(=O)N2CCC3(CC2)CN(C(C4=C3C5=C(N4)C=C(C=C5)OC)CO)C(=O)NC6=CC(=CC=C6)F > CC1=CC(=CC=C1)S(=O)(=O)N2CCC3(CC2)CN([C@@H](C4=C3C5=C(N4)C=C(C=C5)OC)CO)C(=O)NC6=CC(=CC=C6)F > 123 > 592.21556950 > 0 > 42 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 17 8 10 22 8 16 17 8 16 21 8 18 23 5 21 22 8 21 25 8 22 26 8 25 28 8 26 29 8 27 30 8 27 31 8 28 29 8 30 33 8 31 34 8 32 36 8 32 37 8 33 35 8 34 35 8 36 40 8 37 41 8 40 42 8 41 42 8 $$$$