3,4-dimethyl-5-[[2-(propylamino)-5-sulfamoyl-phenyl]sulfamoyl]benzoate

Systemtic Name: 3,4-dimethyl-5-[[2-(propylamino)-5-sulfamoyl-phenyl]sulfamoyl]benzoate Openeye Name: 3,4-dimethyl-5-[[2-(propylamino)-5-sulfamoyl-phenyl]sulfamoyl]benzoate CAS Name: 3,4-dimethyl-5-[[2-(propylamino)-5-sulfamoylphenyl]sulfamoyl]benzoate IUPAC Name: 3,4-dimethyl-5-[[2-(propylamino)-5-sulfamoylphenyl]sulfamoyl]benzoate Traditional Name: 3,4-dimethyl-5-[[2-(propylamino)-5-sulfamoyl-phenyl]sulfamoyl]benzoate Formula: C18H22N3O6S2- MolecularWeight: 440.51378

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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(=C2C)C)C(=O)[O-]

Isomeric SMILES

CCCNC1=C(C=C(C=C1)S(=O)(=O)N)NS(=O)(=O)C2=CC(=CC(=C2C)C)C(=O)[O-]

InChI

InChI=1S/C18H23N3O6S2/c1-4-7-20-15-6-5-14(28(19,24)25)10-16(15)21-29(26,27)17-9-13(18(22)23)8-11(2)12(17)3/h5-6,8-10,20-21H,4,7H2,1-3H3,(H,22,23)(H2,19,24,25)/p-1