4-[(5-methyl-2-phenyl-pyrazol-3-yl)carbamoylsulfamoyl]benzoic acid

Systemtic Name: 4-[(5-methyl-2-phenyl-pyrazol-3-yl)carbamoylsulfamoyl]benzoic acid Openeye Name: 4-[(5-methyl-2-phenyl-pyrazol-3-yl)carbamoylsulfamoyl]benzoic acid CAS Name: 4-[[[(5-methyl-2-phenyl-3-pyrazolyl)amino]-oxomethyl]sulfamoyl]benzoic acid IUPAC Name: 4-[(5-methyl-2-phenylpyrazol-3-yl)carbamoylsulfamoyl]benzoic acid Traditional Name: 4-[(5-methyl-2-phenyl-pyrazol-3-yl)carbamoylsulfamoyl]benzoic acid Formula: C18H16N4O5S MolecularWeight: 400.40844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H16N4O5S/c1-12-11-16(22(20-12)14-5-3-2-4-6-14)19-18(25)21-28(26,27)15-9-7-13(8-10-15)17(23)24/h2-11H,1H3,(H,23,24)(H2,19,21,25)