2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-[1-(2,4-dimethylphenyl)ethyl]butanamide

Systemtic Name: 2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-[1-(2,4-dimethylphenyl)ethyl]butanamide Openeye Name: 2-(3-chloro-N-methylsulfonyl-anilino)-N-[1-(2,4-dimethylphenyl)ethyl]butanamide CAS Name: 2-(3-chloro-N-methylsulfonylanilino)-N-[1-(2,4-dimethylphenyl)ethyl]butanamide IUPAC Name: 2-(3-chloro-N-methylsulfonylanilino)-N-[1-(2,4-dimethylphenyl)ethyl]butanamide Traditional Name: 2-(3-chloro-N-mesyl-anilino)-N-[1-(2,4-dimethylphenyl)ethyl]butyramide Formula: C21H27ClN2O3S MolecularWeight: 422.96868

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(C)C1=C(C=C(C=C1)C)C)N(C2=CC(=CC=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC(C)C1=C(C=C(C=C1)C)C)N(C2=CC(=CC=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C21H27ClN2O3S/c1-6-20(24(28(5,26)27)18-9-7-8-17(22)13-18)21(25)23-16(4)19-11-10-14(2)12-15(19)3/h7-13,16,20H,6H2,1-5H3,(H,23,25)