4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(3-methylsulfanylphenyl)butanamide

Systemtic Name: 4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(3-methylsulfanylphenyl)butanamide Openeye Name: 4-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-(3-methylsulfanylphenyl)butanamide CAS Name: 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[3-(methylthio)phenyl]butanamide IUPAC Name: 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)butanamide Traditional Name: 4-(N-mesyl-3,4-dimethyl-anilino)-N-[3-(methylthio)phenyl]butyramide Formula: C20H26N2O3S2 MolecularWeight: 406.56204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3S2/c1-15-10-11-18(13-16(15)2)22(27(4,24)25)12-6-9-20(23)21-17-7-5-8-19(14-17)26-3/h5,7-8,10-11,13-14H,6,9,12H2,1-4H3,(H,21,23)