dimethyl 2-[(4-methyl-3-sulfamoyl-phenyl)sulfamoyl]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[(4-methyl-3-sulfamoyl-phenyl)sulfamoyl]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(4-methyl-3-sulfamoyl-phenyl)sulfamoyl]benzene-1,4-dicarboxylate CAS Name: 2-[(4-methyl-3-sulfamoylphenyl)sulfamoyl]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(4-methyl-3-sulfamoylphenyl)sulfamoyl]benzene-1,4-dicarboxylate Traditional Name: 2-[(4-methyl-3-sulfamoyl-phenyl)sulfamoyl]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C17H18N2O8S2 MolecularWeight: 442.46342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OC)C(=O)OC)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OC)C(=O)OC)S(=O)(=O)N

InChI

InChI=1S/C17H18N2O8S2/c1-10-4-6-12(9-14(10)28(18,22)23)19-29(24,25)15-8-11(16(20)26-2)5-7-13(15)17(21)27-3/h4-9,19H,1-3H3,(H2,18,22,23)