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

Systemtic Name: N-(3-methylsulfanylphenyl)-4-[methylsulfonyl(phenyl)amino]butanamide Openeye Name: N-(3-methylsulfanylphenyl)-4-(N-methylsulfonylanilino)butanamide CAS Name: 4-(N-methylsulfonylanilino)-N-[3-(methylthio)phenyl]butanamide IUPAC Name: N-(3-methylsulfanylphenyl)-4-(N-methylsulfonylanilino)butanamide Traditional Name: 4-(N-mesylanilino)-N-[3-(methylthio)phenyl]butyramide Formula: C18H22N2O3S2 MolecularWeight: 378.50888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)CCCN(C2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)CCCN(C2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C18H22N2O3S2/c1-24-17-11-6-8-15(14-17)19-18(21)12-7-13-20(25(2,22)23)16-9-4-3-5-10-16/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,19,21)