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

Systemtic Name: 4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-(2-methylsulfanylphenyl)butanamide Openeye Name: 4-(2,5-dimethyl-N-methylsulfonyl-anilino)-N-(2-methylsulfanylphenyl)butanamide CAS Name: 4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-(methylthio)phenyl]butanamide IUPAC Name: 4-(2,5-dimethyl-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)butanamide Traditional Name: 4-(N-mesyl-2,5-dimethyl-anilino)-N-[2-(methylthio)phenyl]butyramide Formula: C20H26N2O3S2 MolecularWeight: 406.56204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(CCCC(=O)NC2=CC=CC=C2SC)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(CCCC(=O)NC2=CC=CC=C2SC)S(=O)(=O)C

InChI

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