2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[2-(4-methylphenyl)sulfanylethyl]ethanamide

Systemtic Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[2-(4-methylphenyl)sulfanylethyl]ethanamide Openeye Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[2-(p-tolylsulfanyl)ethyl]acetamide CAS Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[2-[(4-methylphenyl)thio]ethyl]acetamide IUPAC Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide Traditional Name: 2-[1,3-benzodioxol-5-yl(mesyl)amino]-N-[2-(p-tolylthio)ethyl]acetamide Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C

InChI

InChI=1S/C19H22N2O5S2/c1-14-3-6-16(7-4-14)27-10-9-20-19(22)12-21(28(2,23)24)15-5-8-17-18(11-15)26-13-25-17/h3-8,11H,9-10,12-13H2,1-2H3,(H,20,22)