4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide

Systemtic Name: 4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide Openeye Name: 4-[(3,4-dimethyl-N-methylsulfonyl-anilino)methyl]-N-[2-(p-tolylsulfanyl)ethyl]benzamide CAS Name: 4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[2-[(4-methylphenyl)thio]ethyl]benzamide IUPAC Name: 4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide Traditional Name: 4-[(N-mesyl-3,4-dimethyl-anilino)methyl]-N-[2-(p-tolylthio)ethyl]benzamide Formula: C26H30N2O3S2 MolecularWeight: 482.658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2=CC=C(C=C2)CN(C3=CC(=C(C=C3)C)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2=CC=C(C=C2)CN(C3=CC(=C(C=C3)C)C)S(=O)(=O)C

InChI

InChI=1S/C26H30N2O3S2/c1-19-5-13-25(14-6-19)32-16-15-27-26(29)23-10-8-22(9-11-23)18-28(33(4,30)31)24-12-7-20(2)21(3)17-24/h5-14,17H,15-16,18H2,1-4H3,(H,27,29)