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

Systemtic Name: 3-[[3-(4-methylphenyl)sulfanylpropanoylamino]sulfamoyl]benzoic acid Openeye Name: 3-[[3-(p-tolylsulfanyl)propanoylamino]sulfamoyl]benzoic acid CAS Name: 3-[[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]sulfamoyl]benzoic acid IUPAC Name: 3-[[3-(4-methylphenyl)sulfanylpropanoylamino]sulfamoyl]benzoic acid Traditional Name: 3-[[3-(p-tolylthio)propanoylamino]sulfamoyl]benzoic acid Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O5S2/c1-12-5-7-14(8-6-12)25-10-9-16(20)18-19-26(23,24)15-4-2-3-13(11-15)17(21)22/h2-8,11,19H,9-10H2,1H3,(H,18,20)(H,21,22)