4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonic acid

Systemtic Name: 4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonic acid Openeye Name: 4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonic acid CAS Name: 4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonic acid IUPAC Name: 4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonic acid Traditional Name: 4-[3-(4-chlorophenyl)-2-pyrazolin-1-yl]besylic acid Formula: C15H13ClN2O3S MolecularWeight: 336.79332

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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

Isomeric SMILES

C1CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C15H13ClN2O3S/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)