[4-[bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]-2-methoxy-phenyl] 4-chloranylbenzenesulfonate

Systemtic Name: [4-[bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]-2-methoxy-phenyl] 4-chloranylbenzenesulfonate Openeye Name: [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-2-methoxy-phenyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [4-[bis(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methyl]-2-methoxy-phenyl] ester Formula: C34H29ClN4O6S MolecularWeight: 657.13526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC(=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)Cl)OC)C5=C(NN(C5=O)C6=CC=CC=C6)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC(=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)Cl)OC)C5=C(NN(C5=O)C6=CC=CC=C6)C

InChI

InChI=1S/C34H29ClN4O6S/c1-21-30(33(40)38(36-21)25-10-6-4-7-11-25)32(31-22(2)37-39(34(31)41)26-12-8-5-9-13-26)23-14-19-28(29(20-23)44-3)45-46(42,43)27-17-15-24(35)16-18-27/h4-20,32,36-37H,1-3H3