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

Systemtic Name: sodium 4-(5-phenyl-3-pyridin-3-yl-3,4-dihydropyrazol-2-yl)benzenesulfonate Openeye Name: sodium 4-[5-phenyl-3-(3-pyridyl)-3,4-dihydropyrazol-2-yl]benzenesulfonate CAS Name: sodium 4-[5-phenyl-3-(3-pyridinyl)-3,4-dihydropyrazol-2-yl]benzenesulfonate IUPAC Name: sodium 4-(5-phenyl-3-pyridin-3-yl-3,4-dihydropyrazol-2-yl)benzenesulfonate Traditional Name: sodium 4-[3-phenyl-5-(3-pyridyl)-2-pyrazolin-1-yl]besylate Formula: C20H16N3NaO3S MolecularWeight: 401.41411

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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=CN=CC=C4.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O3S.Na/c24-27(25,26)18-10-8-17(9-11-18)23-20(16-7-4-12-21-14-16)13-19(22-23)15-5-2-1-3-6-15;/h1-12,14,20H,13H2,(H,24,25,26);/q;+1/p-1