4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]benzenesulfonate

Systemtic Name: 4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]benzenesulfonate Openeye Name: 4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]benzenesulfonate CAS Name: 4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]benzenesulfonate IUPAC Name: 4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]benzenesulfonate Traditional Name: 4-[(5R)-3,5-diphenyl-2-pyrazolin-1-yl]besylate Formula: C21H17N2O3S- MolecularWeight: 377.43628

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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

Isomeric SMILES

C1[C@@H](N(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H18N2O3S/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)/p-1/t21-/m1/s1