sodium 4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzenesulfonate

Systemtic Name: sodium 4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzenesulfonate Openeye Name: sodium 4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzenesulfonate CAS Name: sodium 4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzenesulfonate IUPAC Name: sodium 4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzenesulfonate Traditional Name: sodium 4-(3,5-diphenyl-2-pyrazolin-1-yl)besylate Formula: C21H17N2NaO3S MolecularWeight: 400.42605

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O3S.Na/c24-27(25,26)19-13-11-18(12-14-19)23-21(17-9-5-2-6-10-17)15-20(22-23)16-7-3-1-4-8-16;/h1-14,21H,15H2,(H,24,25,26);/q;+1/p-1