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名称: N-(2-fluoro-4-methyl-phenyl)-4-{2-[2-(7-thioxo-azepan-2-yl)-ethyl]-3H-imidazo[4,5-b]pyridin-6-yl}-benzenesulfonamide

IUPAC: N-(2-fluoro-4-methylphenyl)-4-[2-[2-(7-sulfanylideneazepan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]benzenesulfonamide

SMILES: Cc1ccc(NS(=O)(=O)c2ccc(-c3cnc4[nH]c(CCC5CCCCC(=S)N5)nc4c3)cc2)c(F)c1

Canonical SMILES: CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C3=CC4=C(N=C3)N=C(N4)CCC5CCCCC(=S)N5)F

分子式: C27H28FN5O2S2

分子量: 537.70

InChIKey: FOACVGYTHWNNDH-UHFFFAOYSA-N

InChI: InChI=1S/C27H28FN5O2S2/c1-17-6-12-23(22(28)14-17)33-37(34,35)21-10-7-18(8-11-21)19-15-24-27(29-16-19)32-25(31-24)13-9-20-4-2-3-5-26(36)30-20/h6-8,10-12,14-16,20,33H,2-5,9,13H2,1H3,(H,30,36)(H,29,31,32)

PubChem CID: 86630352 →

同义词

SCHEMBL3066901FOACVGYTHWNNDH-UHFFFAOYSA-NN-(2-fluoro-4-methyl-phenyl)-4-{2-[2-(7-thioxo-azepan-2-yl)-ethyl]-3H-imidazo[4,5-b]pyridin-6-yl}-benzenesulfonamide

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