4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-[(3-methylphenyl)methyl]butanamide

Systemtic Name: 4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-[(3-methylphenyl)methyl]butanamide Openeye Name: 4-(2,5-dimethyl-N-methylsulfonyl-anilino)-N-(m-tolylmethyl)butanamide CAS Name: 4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]butanamide IUPAC Name: 4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]butanamide Traditional Name: 4-(N-mesyl-2,5-dimethyl-anilino)-N-(3-methylbenzyl)butyramide Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC(=O)CCCN(C2=C(C=CC(=C2)C)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CNC(=O)CCCN(C2=C(C=CC(=C2)C)C)S(=O)(=O)C

InChI

InChI=1S/C21H28N2O3S/c1-16-7-5-8-19(13-16)15-22-21(24)9-6-12-23(27(4,25)26)20-14-17(2)10-11-18(20)3/h5,7-8,10-11,13-14H,6,9,12,15H2,1-4H3,(H,22,24)