2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-(2-methylphenyl)butanamide

Systemtic Name: 2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-(2-methylphenyl)butanamide Openeye Name: 2-(3-chloro-N-methylsulfonyl-anilino)-N-(o-tolyl)butanamide CAS Name: 2-(3-chloro-N-methylsulfonylanilino)-N-(2-methylphenyl)butanamide IUPAC Name: 2-(3-chloro-N-methylsulfonylanilino)-N-(2-methylphenyl)butanamide Traditional Name: 2-(3-chloro-N-mesyl-anilino)-N-(o-tolyl)butyramide Formula: C18H21ClN2O3S MolecularWeight: 380.88894

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C)N(C2=CC(=CC=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C)N(C2=CC(=CC=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C18H21ClN2O3S/c1-4-17(18(22)20-16-11-6-5-8-13(16)2)21(25(3,23)24)15-10-7-9-14(19)12-15/h5-12,17H,4H2,1-3H3,(H,20,22)