4-[(4-methylphenyl)-methylsulfonyl-amino]-N-(2-methylsulfanylphenyl)butanamide

Systemtic Name: 4-[(4-methylphenyl)-methylsulfonyl-amino]-N-(2-methylsulfanylphenyl)butanamide Openeye Name: 4-(4-methyl-N-methylsulfonyl-anilino)-N-(2-methylsulfanylphenyl)butanamide CAS Name: 4-(4-methyl-N-methylsulfonylanilino)-N-[2-(methylthio)phenyl]butanamide IUPAC Name: 4-(4-methyl-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)butanamide Traditional Name: 4-(N-mesyl-4-methyl-anilino)-N-[2-(methylthio)phenyl]butyramide Formula: C19H24N2O3S2 MolecularWeight: 392.53546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O3S2/c1-15-10-12-16(13-11-15)21(26(3,23)24)14-6-9-19(22)20-17-7-4-5-8-18(17)25-2/h4-5,7-8,10-13H,6,9,14H2,1-3H3,(H,20,22)