ethyl 2-[2-[1,3-benzodioxol-5-yl-(4-methylphenyl)sulfonyl-amino]ethylsulfanyl]ethanoate

Systemtic Name: ethyl 2-[2-[1,3-benzodioxol-5-yl-(4-methylphenyl)sulfonyl-amino]ethylsulfanyl]ethanoate Openeye Name: ethyl 2-[2-[1,3-benzodioxol-5-yl(p-tolylsulfonyl)amino]ethylsulfanyl]acetate CAS Name: 2-[2-[1,3-benzodioxol-5-yl-(4-methylphenyl)sulfonylamino]ethylthio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[1,3-benzodioxol-5-yl-(4-methylphenyl)sulfonylamino]ethylsulfanyl]acetate Traditional Name: 2-[2-[1,3-benzodioxol-5-yl(tosyl)amino]ethylthio]acetic acid ethyl ester Formula: C20H23NO6S2 MolecularWeight: 437.52972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCCN(C1=CC2=C(C=C1)OCO2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CSCCN(C1=CC2=C(C=C1)OCO2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H23NO6S2/c1-3-25-20(22)13-28-11-10-21(16-6-9-18-19(12-16)27-14-26-18)29(23,24)17-7-4-15(2)5-8-17/h4-9,12H,3,10-11,13-14H2,1-2H3