3242913 -OEChem-05062415212D 67 70 0 1 0 0 0 0 0999 V2000 5.4641 1.1651 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 0.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 2.0311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 -0.6397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0920 1.0311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5920 -3.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0920 -4.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0920 -0.7010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0920 -2.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.1651 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 1.6651 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 2.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0920 -0.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5920 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 0.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5920 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0920 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5920 0.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5920 0.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3191 1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5920 -3.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0920 -4.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0920 -4.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.4751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 3.2477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 2.5574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 2.5574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 3.2477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.6901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 0.6901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 4.1651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.7851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 4.1651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.8551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.6281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.7851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -0.6449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6746 -0.4889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9843 -0.0904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1171 -1.1685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1171 -1.9655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0670 -1.9655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0670 -1.1685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5094 -2.6451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1997 -3.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.4549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9084 1.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5117 2.5096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 2.1129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5094 -4.3771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1997 -4.7756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0920 -4.7851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7120 -4.1651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0920 -3.5451 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 18 1 0 0 0 0 4 22 1 0 0 0 0 4 29 1 0 0 0 0 5 30 2 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 32 2 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 30 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 16 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 49 1 0 0 0 0 20 28 2 0 0 0 0 20 50 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 28 1 0 0 0 0 23 26 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 27 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 29 2 0 0 0 0 25 31 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 29 30 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 33 34 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 M END > 3242913 > 1 > 843 > 7 > 0 > 5 > AAADcfB7OABAAAAAAAAAAAAAAAAAASAAAAA8WIAAAAAAAEgB8AAAHgQAQAAADQTh2AYyD8MABEKIAqFSGHLCCBAkIAAIiBnODMgOZjKEtT+fOSjkxhGYqYeY3+LugIAAgAAIAAABAAEAABAAAAAAAAAAAA== > ethyl 4-[5-[(3,5-dimethyl-1-piperidyl)sulfonyl]-3-methyl-benzofuran-2-carbonyl]piperazine-1-carboxylate > 4-[[5-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-3-methyl-2-benzofuranyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester > ethyl 4-[5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-1-benzofuran-2-carbonyl]piperazine-1-carboxylate > ethyl 4-[5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-1-benzofuran-2-carbonyl]piperazine-1-carboxylate > ethyl 4-[[5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-1-benzofuran-2-yl]carbonyl]piperazine-1-carboxylate > 4-[5-(3,5-dimethylpiperidino)sulfonyl-3-methyl-benzofuran-2-carbonyl]piperazine-1-carboxylic acid ethyl ester > InChI=1S/C24H33N3O6S/c1-5-32-24(29)26-10-8-25(9-11-26)23(28)22-18(4)20-13-19(6-7-21(20)33-22)34(30,31)27-14-16(2)12-17(3)15-27/h6-7,13,16-17H,5,8-12,14-15H2,1-4H3 > SNVMHGHYJVBJMR-UHFFFAOYSA-N > 3.4 > 491.20900695 > C24H33N3O6S > 491.6 > CCOC(=O)N1CCN(CC1)C(=O)C2=C(C3=C(O2)C=CC(=C3)S(=O)(=O)N4CC(CC(C4)C)C)C > CCOC(=O)N1CCN(CC1)C(=O)C2=C(C3=C(O2)C=CC(=C3)S(=O)(=O)N4CC(CC(C4)C)C)C > 109 > 491.20900695 > 0 > 34 > 0 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 16 3 12 17 3 18 19 8 18 20 8 19 21 8 20 28 8 21 22 8 21 25 8 22 28 8 25 29 8 4 22 8 4 29 8 $$$$