68060051 -OEChem-03282413302D 44 45 0 0 0 0 0 0 0999 V2000 3.7320 -2.8170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.8170 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -3.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -1.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.7200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.6461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 0.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 0.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -2.7800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -3.8539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.8730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 3.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.3030 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 22 1 0 0 0 0 2 18 1 0 0 0 0 3 15 1 0 0 0 0 3 19 1 0 0 0 0 6 17 2 0 0 0 0 7 19 2 0 0 0 0 8 11 1 0 0 0 0 8 17 1 0 0 0 0 8 30 1 0 0 0 0 9 12 2 0 0 0 0 9 14 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 28 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 13 23 2 0 0 0 0 14 18 2 0 0 0 0 14 29 1 0 0 0 0 15 24 2 0 0 0 0 16 18 1 0 0 0 0 16 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 25 1 0 0 0 0 23 41 1 0 0 0 0 24 26 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 M END > 68060051 > 1 > 616 > 6 > 1 > 6 > AAADceB6OQBAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHwQQAAAADQyB2Aiyz4LABAqIAiXSWHDCCAAlKhAIiBkGbMgMJjbktZuGO2zm9BHI6YeYyCCOAAAAACAIAAAAAAAAQBAAAAAAAAAAAA== > [2-[(3-fluoro-5-methylsulfonyl-phenyl)carbamoyl]phenyl] 2-methylpropanoate > 2-methylpropanoic acid [2-[(3-fluoro-5-methylsulfonylanilino)-oxomethyl]phenyl] ester > [2-[(3-fluoro-5-methylsulfonylphenyl)carbamoyl]phenyl] 2-methylpropanoate > [2-[(3-fluoro-5-methylsulfonylphenyl)carbamoyl]phenyl] 2-methylpropanoate > [2-[(3-fluoranyl-5-methylsulfonyl-phenyl)carbamoyl]phenyl] 2-methylpropanoate > 2-methylpropionic acid [2-[(3-fluoro-5-mesyl-phenyl)carbamoyl]phenyl] ester > InChI=1S/C18H18FNO5S/c1-11(2)18(22)25-16-7-5-4-6-15(16)17(21)20-13-8-12(19)9-14(10-13)26(3,23)24/h4-11H,1-3H3,(H,20,21) > ZHSRNPTUMLEXAK-UHFFFAOYSA-N > 2.9 > 379.08897201 > C18H18FNO5S > 379.4 > CC(C)C(=O)OC1=CC=CC=C1C(=O)NC2=CC(=CC(=C2)S(=O)(=O)C)F > CC(C)C(=O)OC1=CC=CC=C1C(=O)NC2=CC(=CC(=C2)S(=O)(=O)C)F > 97.9 > 379.08897201 > 0 > 26 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 12 8 11 16 8 13 15 8 13 23 8 14 18 8 15 24 8 16 18 8 23 25 8 24 26 8 25 26 8 9 12 8 9 14 8 $$$$