N-(3-methylsulfanylphenyl)-2-[methylsulfonyl(phenyl)amino]butanamide

Systemtic Name: N-(3-methylsulfanylphenyl)-2-[methylsulfonyl(phenyl)amino]butanamide Openeye Name: N-(3-methylsulfanylphenyl)-2-(N-methylsulfonylanilino)butanamide CAS Name: 2-(N-methylsulfonylanilino)-N-[3-(methylthio)phenyl]butanamide IUPAC Name: N-(3-methylsulfanylphenyl)-2-(N-methylsulfonylanilino)butanamide Traditional Name: 2-(N-mesylanilino)-N-[3-(methylthio)phenyl]butyramide Formula: C18H22N2O3S2 MolecularWeight: 378.50888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3S2/c1-4-17(18(21)19-14-9-8-12-16(13-14)24-2)20(25(3,22)23)15-10-6-5-7-11-15/h5-13,17H,4H2,1-3H3,(H,19,21)