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

Systemtic Name: [4-[(Z)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] 1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylate Openeye Name: [4-[(Z)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] 1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylate CAS Name: 1-(4-acetamidophenyl)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-acetamidophenyl)sulfonylpiperidine-2-carboxylate Traditional Name: 1-(4-acetamidophenyl)sulfonylpipecolinic 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)C3CCCCN3S(=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)C3CCCCN3S(=O)(=O)C4=CC=C(C=C4)NC(=O)C)C5=CC=CC=C5

InChI

InChI=1S/C31H30N4O6S/c1-21-28(30(37)35(33-21)25-8-4-3-5-9-25)20-23-11-15-26(16-12-23)41-31(38)29-10-6-7-19-34(29)42(39,40)27-17-13-24(14-18-27)32-22(2)36/h3-5,8-9,11-18,20,29H,6-7,10,19H2,1-2H3,(H,32,36)/b28-20-