4-methoxy-3-[[3-(4-methylphenyl)sulfanylpropanoylamino]sulfamoyl]benzoic acid

Systemtic Name: 4-methoxy-3-[[3-(4-methylphenyl)sulfanylpropanoylamino]sulfamoyl]benzoic acid Openeye Name: 4-methoxy-3-[[3-(p-tolylsulfanyl)propanoylamino]sulfamoyl]benzoic acid CAS Name: 4-methoxy-3-[[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]sulfamoyl]benzoic acid IUPAC Name: 4-methoxy-3-[[3-(4-methylphenyl)sulfanylpropanoylamino]sulfamoyl]benzoic acid Traditional Name: 4-methoxy-3-[[3-(p-tolylthio)propanoylamino]sulfamoyl]benzoic acid Formula: C18H20N2O6S2 MolecularWeight: 424.4912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)NNS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)NNS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)OC

InChI

InChI=1S/C18H20N2O6S2/c1-12-3-6-14(7-4-12)27-10-9-17(21)19-20-28(24,25)16-11-13(18(22)23)5-8-15(16)26-2/h3-8,11,20H,9-10H2,1-2H3,(H,19,21)(H,22,23)