[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 1,3-diphenylpyrazole-4-carboxylate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl] 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-carboxylic acid [2-keto-2-(4-piperidinosulfonylphenyl)ethyl] ester Formula: C29H27N3O5S MolecularWeight: 529.60678

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H27N3O5S/c33-27(22-14-16-25(17-15-22)38(35,36)31-18-8-3-9-19-31)21-37-29(34)26-20-32(24-12-6-2-7-13-24)30-28(26)23-10-4-1-5-11-23/h1-2,4-7,10-17,20H,3,8-9,18-19,21H2