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

Systemtic Name: [4-[(Z)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] 1-(phenylsulfonyl)piperidine-3-carboxylate Openeye Name: [4-[(Z)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] 1-(benzenesulfonyl)piperidine-3-carboxylate CAS Name: 1-(benzenesulfonyl)-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-(benzenesulfonyl)piperidine-3-carboxylate Traditional Name: 1-besylnipecotic acid [4-[(Z)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]phenyl] ester Formula: C29H27N3O5S MolecularWeight: 529.60678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(C=C2)OC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=C(C=C2)OC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H27N3O5S/c1-21-27(28(33)32(30-21)24-10-4-2-5-11-24)19-22-14-16-25(17-15-22)37-29(34)23-9-8-18-31(20-23)38(35,36)26-12-6-3-7-13-26/h2-7,10-17,19,23H,8-9,18,20H2,1H3/b27-19-