N-[2-(azepan-1-ylcarbonyl)phenyl]-2-[(4-chlorophenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-2-[(4-chlorophenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(4-chloro-N-methylsulfonyl-anilino)butanamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-2-(4-chloro-N-methylsulfonylanilino)butanamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(4-chloro-N-methylsulfonylanilino)butanamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(4-chloro-N-mesyl-anilino)butyramide Formula: C24H30ClN3O4S MolecularWeight: 492.0307

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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)Cl)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C24H30ClN3O4S/c1-3-22(28(33(2,31)32)19-14-12-18(25)13-15-19)23(29)26-21-11-7-6-10-20(21)24(30)27-16-8-4-5-9-17-27/h6-7,10-15,22H,3-5,8-9,16-17H2,1-2H3,(H,26,29)