2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-[2-(4-methylphenyl)sulfanylethyl]ethanamide

Systemtic Name: 2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-[2-(4-methylphenyl)sulfanylethyl]ethanamide Openeye Name: 2-(2,5-dimethyl-N-methylsulfonyl-anilino)-N-[2-(p-tolylsulfanyl)ethyl]acetamide CAS Name: 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)thio]ethyl]acetamide IUPAC Name: 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide Traditional Name: 2-(N-mesyl-2,5-dimethyl-anilino)-N-[2-(p-tolylthio)ethyl]acetamide Formula: C20H26N2O3S2 MolecularWeight: 406.56204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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