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

Systemtic Name: 1-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-2-methyl-propane-2-sulfonic acid Openeye Name: 1-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-2-methyl-propane-2-sulfonic acid CAS Name: 1-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-2-methyl-2-propanesulfonic acid IUPAC Name: 1-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-2-methylpropane-2-sulfonic acid Traditional Name: 1-[4-[3-(4-chlorophenyl)-2-pyrazolin-1-yl]phenyl]sulfonyl-2-methyl-propane-2-sulfonic acid Formula: C19H21ClN2O5S2 MolecularWeight: 456.96344

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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

Isomeric SMILES

CC(C)(CS(=O)(=O)C1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)Cl)S(=O)(=O)O

InChI

InChI=1S/C19H21ClN2O5S2/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)