sodium 4-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonate

Systemtic Name: sodium 4-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonate Openeye Name: sodium 4-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonate CAS Name: sodium 4-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonate IUPAC Name: sodium 4-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonate Traditional Name: sodium 4-[3-(4-chlorophenyl)-5-phenyl-2-pyrazolin-1-yl]besylate Formula: C21H16ClN2NaO3S MolecularWeight: 434.87111

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)[O-])C4=CC=CC=C4.[Na+]

Isomeric SMILES

C1C(N(N=C1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)[O-])C4=CC=CC=C4.[Na+]

InChI

InChI=1S/C21H17ClN2O3S.Na/c22-17-8-6-15(7-9-17)20-14-21(16-4-2-1-3-5-16)24(23-20)18-10-12-19(13-11-18)28(25,26)27;/h1-13,21H,14H2,(H,25,26,27);/q;+1/p-1