dimethyl 5-[2-[(4-ethanoylphenyl)sulfonyl-methyl-amino]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[(4-ethanoylphenyl)sulfonyl-methyl-amino]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[(4-acetylphenyl)sulfonyl-methyl-amino]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(4-acetylphenyl)sulfonyl-methylamino]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(4-acetylphenyl)sulfonyl-methyl-amino]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H22N2O8S MolecularWeight: 462.47298

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H22N2O8S/c1-13(24)14-5-7-18(8-6-14)32(28,29)23(2)12-19(25)22-17-10-15(20(26)30-3)9-16(11-17)21(27)31-4/h5-11H,12H2,1-4H3,(H,22,25)