dimethyl 2-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]sulfamoyl]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]sulfamoyl]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]sulfamoyl]benzene-1,4-dicarboxylate CAS Name: 2-[[4-[(1-methyl-2-imidazolyl)thio]phenyl]sulfamoyl]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]sulfamoyl]benzene-1,4-dicarboxylate Traditional Name: 2-[[4-[(1-methylimidazol-2-yl)thio]phenyl]sulfamoyl]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C20H19N3O6S2 MolecularWeight: 461.51136

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CN1C=CN=C1SC2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H19N3O6S2/c1-23-11-10-21-20(23)30-15-7-5-14(6-8-15)22-31(26,27)17-12-13(18(24)28-2)4-9-16(17)19(25)29-3/h4-12,22H,1-3H3