2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-N-[2-(cyanomethylsulfanyl)phenyl]ethanamide

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-N-[2-(cyanomethylsulfanyl)phenyl]ethanamide Openeye Name: 2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-N-[2-(cyanomethylsulfanyl)phenyl]acetamide CAS Name: 2-[3-(1-azepanylsulfonyl)-4-methylanilino]-N-[2-(cyanomethylthio)phenyl]acetamide IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-N-[2-(cyanomethylsulfanyl)phenyl]acetamide Traditional Name: 2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-N-[2-(cyanomethylthio)phenyl]acetamide Formula: C23H28N4O3S2 MolecularWeight: 472.62342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCC(=O)NC2=CC=CC=C2SCC#N)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NCC(=O)NC2=CC=CC=C2SCC#N)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H28N4O3S2/c1-18-10-11-19(16-22(18)32(29,30)27-13-6-2-3-7-14-27)25-17-23(28)26-20-8-4-5-9-21(20)31-15-12-24/h4-5,8-11,16,25H,2-3,6-7,13-15,17H2,1H3,(H,26,28)