70143883 -OEChem-04262403382D 60 64 0 1 0 0 0 0 0999 V2000 5.3362 0.2120 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4587 -1.7892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1114 1.4367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1095 -1.2236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9070 -0.1162 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4384 0.9884 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8507 -2.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8729 -0.3750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4780 -2.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2497 -2.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7389 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1360 -1.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5085 -1.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6482 0.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1999 -0.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3553 1.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 1.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2340 -0.5645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0965 2.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4234 2.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9751 0.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5268 -1.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1305 2.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0092 0.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5609 -1.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3021 -0.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6291 -0.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6632 -0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8879 -1.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9560 -0.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1808 -2.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2149 -1.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4043 0.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8688 -2.8093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7920 0.2397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8996 -3.0049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7125 -3.3556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0547 -3.2870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8436 -2.8762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3206 0.3395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4757 0.6863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9417 -1.2531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5502 -2.0451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1024 -1.9102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7034 -1.1439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9542 1.3964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2438 0.6702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5349 2.9612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8246 2.2350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4136 0.8399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6873 -1.8704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9701 3.3805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8488 1.2591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1225 -1.4512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4868 -1.6215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3572 -0.7829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3413 -2.7670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7765 -2.3477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2779 1.5873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 15 2 0 0 0 0 3 33 2 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 8 5 1 1 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 33 1 0 0 0 0 6 59 1 0 0 0 0 6 60 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 34 1 0 0 0 0 8 11 1 0 0 0 0 8 35 1 0 0 0 0 9 12 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 13 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 16 46 1 0 0 0 0 17 20 2 0 0 0 0 17 47 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 23 2 0 0 0 0 19 48 1 0 0 0 0 20 23 1 0 0 0 0 20 49 1 0 0 0 0 21 24 1 0 0 0 0 21 50 1 0 0 0 0 22 25 2 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 24 26 2 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 28 30 2 0 0 0 0 28 33 1 0 0 0 0 29 31 1 0 0 0 0 29 55 1 0 0 0 0 30 32 1 0 0 0 0 30 56 1 0 0 0 0 31 32 2 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 M END > 70143883 > 1 > 681 > 4 > 1 > 6 > AAADceB7MABAAAAAAAAAAAAAAAAAAAAAAAA8ePECAAAAAAABUAAAHgQQAAAADSjB2AQwwYNAAAiIAiVSUACCAAAlChAIiBkIZMgIYDLglZGUIQhghgDoyYcYiACOEAAAAAAEAAAgAAAAAAgAAAAAAAAAAA== > 2-[4-[phenyl-[(3R)-quinuclidin-3-yl]carbamoyl]phenyl]sulfanylbenzamide > 2-[[4-[(N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]anilino)-oxomethyl]phenyl]thio]benzamide > 2-[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-phenylcarbamoyl]phenyl]sulfanylbenzamide > 2-[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-phenylcarbamoyl]phenyl]sulfanylbenzamide > 2-[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-phenyl-carbamoyl]phenyl]sulfanylbenzamide > 2-[[4-[phenyl-[(3R)-quinuclidin-3-yl]carbamoyl]phenyl]thio]benzamide > InChI=1S/C27H27N3O2S/c28-26(31)23-8-4-5-9-25(23)33-22-12-10-20(11-13-22)27(32)30(21-6-2-1-3-7-21)24-18-29-16-14-19(24)15-17-29/h1-13,19,24H,14-18H2,(H2,28,31)/t24-/m0/s1 > WAJMIGABHFLRMX-DEOSSOPVSA-N > 4.5 > 457.18239829 > C27H27N3O2S > 457.6 > C1CN2CCC1C(C2)N(C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)SC5=CC=CC=C5C(=O)N > C1CN2CCC1[C@H](C2)N(C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)SC5=CC=CC=C5C(=O)N > 91.9 > 457.18239829 > 0 > 33 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 16 8 14 17 8 16 19 8 17 20 8 18 21 8 18 22 8 19 23 8 20 23 8 21 24 8 22 25 8 24 26 8 25 26 8 27 28 8 27 29 8 28 30 8 29 31 8 30 32 8 31 32 8 8 5 5 $$$$