[4-[(Z)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] 1-(4-nitrophenyl)sulfonylpiperidine-2-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(C=C2)OC(=O)C3CCCCN3S(=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)C3CCCCN3S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C29H26N4O7S/c1-20-26(28(34)32(30-20)22-7-3-2-4-8-22)19-21-10-14-24(15-11-21)40-29(35)27-9-5-6-18-31(27)41(38,39)25-16-12-23(13-17-25)33(36)37/h2-4,7-8,10-17,19,27H,5-6,9,18H2,1H3/b26-19-