N-(2,6-dimethylphenyl)-4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-(2,6-dimethylphenyl)-4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]butanamide Openeye Name: 4-(2,5-dimethyl-N-methylsulfonyl-anilino)-N-(2,6-dimethylphenyl)butanamide CAS Name: 4-(2,5-dimethyl-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)butanamide IUPAC Name: 4-(2,5-dimethyl-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)butanamide Traditional Name: N-(2,6-dimethylphenyl)-4-(N-mesyl-2,5-dimethyl-anilino)butyramide Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(CCCC(=O)NC2=C(C=CC=C2C)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(CCCC(=O)NC2=C(C=CC=C2C)C)S(=O)(=O)C

InChI

InChI=1S/C21H28N2O3S/c1-15-11-12-16(2)19(14-15)23(27(5,25)26)13-7-10-20(24)22-21-17(3)8-6-9-18(21)4/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,22,24)