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

Systemtic Name: 2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(3-methylsulfanylphenyl)butanamide Openeye Name: 2-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-(3-methylsulfanylphenyl)butanamide CAS Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[3-(methylthio)phenyl]butanamide IUPAC Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)butanamide Traditional Name: 2-(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:

CCC(C(=O)NC1=CC(=CC=C1)SC)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC=C1)SC)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

InChI

InChI=1S/C20H26N2O3S2/c1-6-19(20(23)21-16-8-7-9-18(13-16)26-4)22(27(5,24)25)17-11-10-14(2)15(3)12-17/h7-13,19H,6H2,1-5H3,(H,21,23)