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

Systemtic Name: dimethyl 5-[2-[(3-chloranyl-4-ethoxy-phenyl)sulfonyl-methyl-amino]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[(3-chloro-4-ethoxy-phenyl)sulfonyl-methyl-amino]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(3-chloro-4-ethoxy-phenyl)sulfonyl-methyl-amino]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H23ClN2O8S MolecularWeight: 498.93392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)Cl

InChI

InChI=1S/C21H23ClN2O8S/c1-5-32-18-7-6-16(11-17(18)22)33(28,29)24(2)12-19(25)23-15-9-13(20(26)30-3)8-14(10-15)21(27)31-4/h6-11H,5,12H2,1-4H3,(H,23,25)