24982399 -OEChem-03282412232D 65 67 0 0 0 0 0 0 0999 V2000 7.0468 -5.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 6.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5468 -6.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5468 -4.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -5.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -2.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -2.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -3.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 -1.4579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 -1.7954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 -2.5492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 -3.3743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0982 -2.2555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5430 -1.6389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 -4.0212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 -4.1937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 -5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 -3.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -5.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2928 -6.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -7.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5328 -6.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0888 -5.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3158 -4.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4688 -4.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9687 -0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5702 -0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1249 0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5234 1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4908 1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6438 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8708 0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3158 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1818 3.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3759 3.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1818 5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3759 5.5600 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 10 1 0 0 0 0 1 20 1 0 0 0 0 2 36 1 0 0 0 0 3 23 1 0 0 0 0 3 26 1 0 0 0 0 6 23 2 0 0 0 0 7 27 2 0 0 0 0 8 30 2 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 12 61 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 16 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 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 21 1 0 0 0 0 18 23 1 0 0 0 0 19 22 2 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 28 30 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 32 62 1 0 0 0 0 33 35 2 0 0 0 0 33 63 1 0 0 0 0 34 36 2 0 0 0 0 34 64 1 0 0 0 0 35 36 1 0 0 0 0 35 65 1 0 0 0 0 M END > 24982399 > 1 > 882 > 9 > 1 > 10 > AAADceB7uQBAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAABQAAAHwQQQAAADAjh2A4yyYPABAKIAiXSWHLCABAlAgAIiBnIbMgKZjrAtb2XMYhm1gHY6ceYyCCOAAQAgAACAAAACAEAAAQAAAAAAAAAAA== > [2-[[2-(4-fluoroanilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate > 5-(dimethylsulfamoyl)-2-(1-pyrrolidinyl)benzoic acid [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester > [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate > [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate > [2-[[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate > 5-(dimethylsulfamoyl)-2-pyrrolidino-benzoic acid [2-[[2-(4-fluoroanilino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester > InChI=1S/C24H29FN4O6S/c1-27(2)36(33,34)19-10-11-21(29-12-4-5-13-29)20(14-19)24(32)35-16-23(31)28(3)15-22(30)26-18-8-6-17(25)7-9-18/h6-11,14H,4-5,12-13,15-16H2,1-3H3,(H,26,30) > NROBANYAAOEJNI-UHFFFAOYSA-N > 2.1 > 520.17918399 > C24H29FN4O6S > 520.6 > CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC(=O)N(C)CC(=O)NC3=CC=C(C=C3)F > CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC(=O)N(C)CC(=O)NC3=CC=C(C=C3)F > 125 > 520.17918399 > 0 > 36 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 17 18 8 17 19 8 18 21 8 19 22 8 20 21 8 20 22 8 31 32 8 31 33 8 32 34 8 33 35 8 34 36 8 35 36 8 $$$$