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

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

Click to see the large picture

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

InChI

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