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

Systemtic Name: 2-[(3,4-dimethoxyphenyl)-methylsulfonyl-amino]-N-[3-(4-methylphenyl)sulfanylpropyl]ethanamide Openeye Name: 2-(3,4-dimethoxy-N-methylsulfonyl-anilino)-N-[3-(p-tolylsulfanyl)propyl]acetamide CAS Name: 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[3-[(4-methylphenyl)thio]propyl]acetamide IUPAC Name: 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)sulfanylpropyl]acetamide Traditional Name: 2-(N-mesyl-3,4-dimethoxy-anilino)-N-[3-(p-tolylthio)propyl]acetamide Formula: C21H28N2O5S2 MolecularWeight: 452.58742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5S2/c1-16-6-9-18(10-7-16)29-13-5-12-22-21(24)15-23(30(4,25)26)17-8-11-19(27-2)20(14-17)28-3/h6-11,14H,5,12-13,15H2,1-4H3,(H,22,24)