dimethyl 2-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[1,3-benzodioxol-5-yl(mesyl)amino]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C20H20N2O9S MolecularWeight: 464.4458

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C

InChI

InChI=1S/C20H20N2O9S/c1-28-19(24)12-4-6-14(20(25)29-2)15(8-12)21-18(23)10-22(32(3,26)27)13-5-7-16-17(9-13)31-11-30-16/h4-9H,10-11H2,1-3H3,(H,21,23)