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

Systemtic Name: sodium 4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonate Openeye Name: sodium 4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonate CAS Name: sodium 4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonate IUPAC Name: sodium 4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonate Traditional Name: sodium 4-[3-(4-chlorophenyl)-2-pyrazolin-1-yl]besylate Formula: C15H12ClN2NaO3S MolecularWeight: 358.77515

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C15H13ClN2O3S.Na/c16-12-3-1-11(2-4-12)15-9-10-18(17-15)13-5-7-14(8-6-13)22(19,20)21;/h1-8H,9-10H2,(H,19,20,21);/q;+1/p-1