[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl] 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid [2-keto-2-(4-piperidinosulfonylphenyl)ethyl] ester Formula: C27H25N3O5S2 MolecularWeight: 535.6345

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=NN3C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=NN3C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C27H25N3O5S2/c31-25(20-11-13-22(14-12-20)37(33,34)29-15-5-2-6-16-29)19-35-27(32)24-18-23(26-10-7-17-36-26)28-30(24)21-8-3-1-4-9-21/h1,3-4,7-14,17-18H,2,5-6,15-16,19H2