[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-oxo-2-[3-(1-piperidylsulfonyl)anilino]ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [2-oxo-2-[3-(1-piperidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid [2-keto-2-(3-piperidinosulfonylanilino)ethyl] ester Formula: C25H28N4O5S MolecularWeight: 496.57862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H28N4O5S/c1-18-24(19(2)29(27-18)21-11-5-3-6-12-21)25(31)34-17-23(30)26-20-10-9-13-22(16-20)35(32,33)28-14-7-4-8-15-28/h3,5-6,9-13,16H,4,7-8,14-15,17H2,1-2H3,(H,26,30)