[4-[(Z)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [4-[(Z)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [4-[(Z)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid [4-[(Z)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenyl] ester IUPAC Name: [4-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid [4-[(Z)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]phenyl] ester Formula: C30H29N3O5S MolecularWeight: 543.63336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=CC=C(C=C3)C=C4C(=NN(C4=O)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=CC=C(C=C3)/C=C\4/C(=NN(C4=O)C5=CC=CC=C5)C

InChI

InChI=1S/C30H29N3O5S/c1-21-8-14-27(15-9-21)39(36,37)32-18-16-24(17-19-32)30(35)38-26-12-10-23(11-13-26)20-28-22(2)31-33(29(28)34)25-6-4-3-5-7-25/h3-15,20,24H,16-19H2,1-2H3/b28-20-