4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-(2-methoxy-5-methyl-phenyl)butanamide

Systemtic Name: 4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-(2-methoxy-5-methyl-phenyl)butanamide Openeye Name: 4-(2,5-dimethyl-N-methylsulfonyl-anilino)-N-(2-methoxy-5-methyl-phenyl)butanamide CAS Name: 4-(2,5-dimethyl-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)butanamide IUPAC Name: 4-(2,5-dimethyl-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)butanamide Traditional Name: 4-(N-mesyl-2,5-dimethyl-anilino)-N-(2-methoxy-5-methyl-phenyl)butyramide Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CCCN(C2=C(C=CC(=C2)C)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CCCN(C2=C(C=CC(=C2)C)C)S(=O)(=O)C

InChI

InChI=1S/C21H28N2O4S/c1-15-9-11-20(27-4)18(13-15)22-21(24)7-6-12-23(28(5,25)26)19-14-16(2)8-10-17(19)3/h8-11,13-14H,6-7,12H2,1-5H3,(H,22,24)