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

Systemtic Name: [4-[(Z)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] 1-(4-nitrophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [4-[(Z)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] 1-(4-nitrophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-nitrophenyl)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-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-nosylisonipecotic acid [4-[(Z)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]phenyl] ester Formula: C29H26N4O7S MolecularWeight: 574.60434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(C=C2)OC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=C(C=C2)OC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C29H26N4O7S/c1-20-27(28(34)32(30-20)23-5-3-2-4-6-23)19-21-7-11-25(12-8-21)40-29(35)22-15-17-31(18-16-22)41(38,39)26-13-9-24(10-14-26)33(36)37/h2-14,19,22H,15-18H2,1H3/b27-19-