sodium 1-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-2-methyl-propane-2-sulfonate

Systemtic Name: sodium 1-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-2-methyl-propane-2-sulfonate Openeye Name: sodium 1-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-2-methyl-propane-2-sulfonate CAS Name: sodium 1-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-2-methyl-2-propanesulfonate IUPAC Name: sodium 1-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-2-methylpropane-2-sulfonate Traditional Name: sodium 1-[4-[3-(4-chlorophenyl)-2-pyrazolin-1-yl]phenyl]sulfonyl-2-methyl-propane-2-sulfonate Formula: C19H20ClN2NaO5S2 MolecularWeight: 478.94527

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CS(=O)(=O)C1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)Cl)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(C)(CS(=O)(=O)C1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)Cl)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C19H21ClN2O5S2.Na/c1-19(2,29(25,26)27)13-28(23,24)17-9-7-16(8-10-17)22-12-11-18(21-22)14-3-5-15(20)6-4-14;/h3-10H,11-13H2,1-2H3,(H,25,26,27);/q;+1/p-1