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

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-N-[2-(cyanomethylsulfanyl)phenyl]ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-N-[2-(cyanomethylsulfanyl)phenyl]acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)anilino]-N-[2-(cyanomethylthio)phenyl]acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-N-[2-(cyanomethylsulfanyl)phenyl]acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-N-[2-(cyanomethylthio)phenyl]acetamide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NCC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NCC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C22H26N4O3S2/c23-13-16-30-21-8-4-3-7-20(21)25-22(27)17-24-18-9-11-19(12-10-18)31(28,29)26-14-5-1-2-6-15-26/h3-4,7-12,24H,1-2,5-6,14-17H2,(H,25,27)