N-[2-(azepan-1-ylcarbonyl)phenyl]-2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(3,4-dimethyl-N-methylsulfonyl-anilino)butanamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)butanamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)butanamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(N-mesyl-3,4-dimethyl-anilino)butyramide Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O4S/c1-5-24(29(34(4,32)33)21-15-14-19(2)20(3)18-21)25(30)27-23-13-9-8-12-22(23)26(31)28-16-10-6-7-11-17-28/h8-9,12-15,18,24H,5-7,10-11,16-17H2,1-4H3,(H,27,30)