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

Systemtic Name: 4-[[5-oxidanylidene-1-(phenylmethyl)-4H-pyrazol-3-yl]carbamoyl]benzenesulfonic acid Openeye Name: 4-[(1-benzyl-5-oxo-4H-pyrazol-3-yl)carbamoyl]benzenesulfonic acid CAS Name: 4-[oxo-[[5-oxo-1-(phenylmethyl)-4H-pyrazol-3-yl]amino]methyl]benzenesulfonic acid IUPAC Name: 4-[(1-benzyl-5-oxo-4H-pyrazol-3-yl)carbamoyl]benzenesulfonic acid Traditional Name: 4-[(1-benzyl-5-keto-2-pyrazolin-3-yl)carbamoyl]besylic acid Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

C1C(=NN(C1=O)CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C17H15N3O5S/c21-16-10-15(19-20(16)11-12-4-2-1-3-5-12)18-17(22)13-6-8-14(9-7-13)26(23,24)25/h1-9H,10-11H2,(H,18,19,22)(H,23,24,25)