2-[(3-methylphenyl)-methylsulfonyl-amino]-N-[3-(4-methylphenyl)sulfanylpropyl]ethanamide

Systemtic Name: 2-[(3-methylphenyl)-methylsulfonyl-amino]-N-[3-(4-methylphenyl)sulfanylpropyl]ethanamide Openeye Name: 2-(3-methyl-N-methylsulfonyl-anilino)-N-[3-(p-tolylsulfanyl)propyl]acetamide CAS Name: 2-(3-methyl-N-methylsulfonylanilino)-N-[3-[(4-methylphenyl)thio]propyl]acetamide IUPAC Name: 2-(3-methyl-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)sulfanylpropyl]acetamide Traditional Name: 2-(N-mesyl-3-methyl-anilino)-N-[3-(p-tolylthio)propyl]acetamide Formula: C20H26N2O3S2 MolecularWeight: 406.56204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCNC(=O)CN(C2=CC=CC(=C2)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCCNC(=O)CN(C2=CC=CC(=C2)C)S(=O)(=O)C

InChI

InChI=1S/C20H26N2O3S2/c1-16-8-10-19(11-9-16)26-13-5-12-21-20(23)15-22(27(3,24)25)18-7-4-6-17(2)14-18/h4,6-11,14H,5,12-13,15H2,1-3H3,(H,21,23)