methyl 3-[[2-(propylamino)-5-sulfamoyl-phenyl]sulfamoyl]benzoate

Systemtic Name: methyl 3-[[2-(propylamino)-5-sulfamoyl-phenyl]sulfamoyl]benzoate Openeye Name: methyl 3-[[2-(propylamino)-5-sulfamoyl-phenyl]sulfamoyl]benzoate CAS Name: 3-[[2-(propylamino)-5-sulfamoylphenyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(propylamino)-5-sulfamoylphenyl]sulfamoyl]benzoate Traditional Name: 3-[[2-(propylamino)-5-sulfamoyl-phenyl]sulfamoyl]benzoic acid methyl ester Formula: C17H21N3O6S2 MolecularWeight: 427.49514

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=C(C=C1)S(=O)(=O)N)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CCCNC1=C(C=C(C=C1)S(=O)(=O)N)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C17H21N3O6S2/c1-3-9-19-15-8-7-13(27(18,22)23)11-16(15)20-28(24,25)14-6-4-5-12(10-14)17(21)26-2/h4-8,10-11,19-20H,3,9H2,1-2H3,(H2,18,22,23)