2-[(4-methylphenyl)-methylsulfonyl-amino]-N-[2-(4-methylphenyl)sulfanylethyl]propanamide

Systemtic Name: 2-[(4-methylphenyl)-methylsulfonyl-amino]-N-[2-(4-methylphenyl)sulfanylethyl]propanamide Openeye Name: 2-(4-methyl-N-methylsulfonyl-anilino)-N-[2-(p-tolylsulfanyl)ethyl]propanamide CAS Name: 2-(4-methyl-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)thio]ethyl]propanamide IUPAC Name: 2-(4-methyl-N-methylsulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide Traditional Name: 2-(N-mesyl-4-methyl-anilino)-N-[2-(p-tolylthio)ethyl]propionamide Formula: C20H26N2O3S2 MolecularWeight: 406.56204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C(C)C(=O)NCCSC2=CC=C(C=C2)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N(C(C)C(=O)NCCSC2=CC=C(C=C2)C)S(=O)(=O)C

InChI

InChI=1S/C20H26N2O3S2/c1-15-5-9-18(10-6-15)22(27(4,24)25)17(3)20(23)21-13-14-26-19-11-7-16(2)8-12-19/h5-12,17H,13-14H2,1-4H3,(H,21,23)