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

Systemtic Name: N-(3-acetamidophenyl)-4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-(3-acetamidophenyl)-4-(2,5-dimethyl-N-methylsulfonyl-anilino)butanamide CAS Name: N-(3-acetamidophenyl)-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide IUPAC Name: N-(3-acetamidophenyl)-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide Traditional Name: N-(3-acetamidophenyl)-4-(N-mesyl-2,5-dimethyl-anilino)butyramide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(CCCC(=O)NC2=CC=CC(=C2)NC(=O)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(CCCC(=O)NC2=CC=CC(=C2)NC(=O)C)S(=O)(=O)C

InChI

InChI=1S/C21H27N3O4S/c1-15-10-11-16(2)20(13-15)24(29(4,27)28)12-6-9-21(26)23-19-8-5-7-18(14-19)22-17(3)25/h5,7-8,10-11,13-14H,6,9,12H2,1-4H3,(H,22,25)(H,23,26)