[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxidanylidene-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-(4-morpholin-4-ylsulfonylphenyl)-2-oxidanylidene-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate Openeye Name: [2-(4-morpholinosulfonylphenyl)-2-oxo-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-cyclopropyl-2-phenyl-3-pyrazolecarboxylic acid [2-[4-(4-morpholinylsulfonyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] 5-cyclopropyl-2-phenylpyrazole-3-carboxylate Traditional Name: 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylic acid [2-keto-2-(4-morpholinosulfonylphenyl)ethyl] ester Formula: C25H25N3O6S MolecularWeight: 495.5475

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)C(=O)OCC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN(C(=C2)C(=O)OCC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C25H25N3O6S/c29-24(19-8-10-21(11-9-19)35(31,32)27-12-14-33-15-13-27)17-34-25(30)23-16-22(18-6-7-18)26-28(23)20-4-2-1-3-5-20/h1-5,8-11,16,18H,6-7,12-15,17H2