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

Systemtic Name: [4-[(Z)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] 1-(4-acetamidophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: [4-[(Z)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] 1-(4-acetamidophenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-acetamidophenyl)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-acetamidophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-acetamidophenyl)sulfonylnipecotic acid [4-[(Z)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]phenyl] ester Formula: C31H30N4O6S MolecularWeight: 586.6581

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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=C(C=C4)NC(=O)C)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=C(C=C4)NC(=O)C)C5=CC=CC=C5

InChI

InChI=1S/C31H30N4O6S/c1-21-29(30(37)35(33-21)26-8-4-3-5-9-26)19-23-10-14-27(15-11-23)41-31(38)24-7-6-18-34(20-24)42(39,40)28-16-12-25(13-17-28)32-22(2)36/h3-5,8-17,19,24H,6-7,18,20H2,1-2H3,(H,32,36)/b29-19-