Sodium 4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonate

ChemSpider ID: 2114682
Molecular Formula: C₂₁H₁₇N₂NaO₃S
Monoisotopic mass: 400.085754 Da
Systematic name

Sodium 4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonate
SMILES and InChIs

SMILES:

[Na+].[O-]S(=O)(=O)c1ccc(cc1)N4/N=C(/c2ccccc2)CC4c3ccccc3 Copied

Std. 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 Copied

Std. InChIKey:

PQYYIQJGKUGBAV-UHFFFAOYSA-M Copied

Names and Identifiers

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

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