3-[(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)carbamoyl]benzenesulfonic acid

Systemtic Name: 3-[(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)carbamoyl]benzenesulfonic acid Openeye Name: 3-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamoyl]benzenesulfonic acid CAS Name: 3-[oxo-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]methyl]benzenesulfonic acid IUPAC Name: 3-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamoyl]benzenesulfonic acid Traditional Name: 3-[(5-keto-1-phenyl-2-pyrazolin-3-yl)carbamoyl]besylic acid Formula: C16H13N3O5S MolecularWeight: 359.35652

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)O

Isomeric SMILES

C1C(=NN(C1=O)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C16H13N3O5S/c20-15-10-14(18-19(15)12-6-2-1-3-7-12)17-16(21)11-5-4-8-13(9-11)25(22,23)24/h1-9H,10H2,(H,17,18,21)(H,22,23,24)