4-[5-[aminocarbonyl(phenyl)amino]-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonic acid

Systemtic Name: 4-[5-[aminocarbonyl(phenyl)amino]-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonic acid Openeye Name: 4-[5-(N-carbamoylanilino)-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid CAS Name: 4-[5-(N-carbamoylanilino)-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid IUPAC Name: 4-[5-(N-carbamoylanilino)-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid Traditional Name: 4-[3-(N-carbamoylanilino)-5-keto-3-pyrazolin-1-yl]besylic acid Formula: C16H14N4O5S MolecularWeight: 374.37116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC(=O)N(N2)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC(=O)N(N2)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)N

InChI

InChI=1S/C16H14N4O5S/c17-16(22)19(11-4-2-1-3-5-11)14-10-15(21)20(18-14)12-6-8-13(9-7-12)26(23,24)25/h1-10,18H,(H2,17,22)(H,23,24,25)