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

Systemtic Name: [4-[(Z)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] 1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate Openeye Name: [4-[(Z)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] 1-(p-tolylsulfonyl)piperidine-3-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-3-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-3-carboxylate Traditional Name: 1-tosylnipecotic 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)N2CCCC(C2)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)N2CCCC(C2)C(=O)OC3=CC=C(C=C3)/C=C\4/C(=NN(C4=O)C5=CC=CC=C5)C

InChI

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