3-methyl-4-[2-(4-methylphenyl)sulfanylethyl]-2-(4-methylphenyl)sulfonyl-1,2-dihydropyrrol-5-one

Systemtic Name: 3-methyl-4-[2-(4-methylphenyl)sulfanylethyl]-2-(4-methylphenyl)sulfonyl-1,2-dihydropyrrol-5-one Openeye Name: 3-methyl-4-[2-(p-tolylsulfanyl)ethyl]-2-(p-tolylsulfonyl)-1,2-dihydropyrrol-5-one CAS Name: 3-methyl-2-(4-methylphenyl)sulfonyl-4-[2-[(4-methylphenyl)thio]ethyl]-1,2-dihydropyrrol-5-one IUPAC Name: 3-methyl-4-[2-(4-methylphenyl)sulfanylethyl]-2-(4-methylphenyl)sulfonyl-1,2-dihydropyrrol-5-one Traditional Name: 4-methyl-3-[2-(p-tolylthio)ethyl]-5-tosyl-3-pyrrolin-2-one Formula: C21H23NO3S2 MolecularWeight: 401.54222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC2=C(C(NC2=O)S(=O)(=O)C3=CC=C(C=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCC2=C(C(NC2=O)S(=O)(=O)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C21H23NO3S2/c1-14-4-8-17(9-5-14)26-13-12-19-16(3)21(22-20(19)23)27(24,25)18-10-6-15(2)7-11-18/h4-11,21H,12-13H2,1-3H3,(H,22,23)