4-[(3-chlorophenyl)-methylsulfonyl-amino]-N-(3-ethanoylphenyl)butanamide

Systemtic Name: 4-[(3-chlorophenyl)-methylsulfonyl-amino]-N-(3-ethanoylphenyl)butanamide Openeye Name: N-(3-acetylphenyl)-4-(3-chloro-N-methylsulfonyl-anilino)butanamide CAS Name: N-(3-acetylphenyl)-4-(3-chloro-N-methylsulfonylanilino)butanamide IUPAC Name: N-(3-acetylphenyl)-4-(3-chloro-N-methylsulfonylanilino)butanamide Traditional Name: N-(3-acetylphenyl)-4-(3-chloro-N-mesyl-anilino)butyramide Formula: C19H21ClN2O4S MolecularWeight: 408.89904

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CCCN(C2=CC(=CC=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CCCN(C2=CC(=CC=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C19H21ClN2O4S/c1-14(23)15-6-3-8-17(12-15)21-19(24)10-5-11-22(27(2,25)26)18-9-4-7-16(20)13-18/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,21,24)