N-[2-(azepan-1-ylcarbonyl)phenyl]-2-[methylsulfonyl(phenyl)amino]butanamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-2-[methylsulfonyl(phenyl)amino]butanamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(N-methylsulfonylanilino)butanamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-2-(N-methylsulfonylanilino)butanamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(N-methylsulfonylanilino)butanamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(N-mesylanilino)butyramide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(=O)N2CCCCCC2)N(C3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)N2CCCCCC2)N(C3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C24H31N3O4S/c1-3-22(27(32(2,30)31)19-13-7-6-8-14-19)23(28)25-21-16-10-9-15-20(21)24(29)26-17-11-4-5-12-18-26/h6-10,13-16,22H,3-5,11-12,17-18H2,1-2H3,(H,25,28)