[2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-keto-2-(4-pyrrolidinosulfonylphenyl)ethyl] ester Formula: C23H22ClN3O5S MolecularWeight: 487.95588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H22ClN3O5S/c1-16-21(22(24)27(25-16)18-7-3-2-4-8-18)23(29)32-15-20(28)17-9-11-19(12-10-17)33(30,31)26-13-5-6-14-26/h2-4,7-12H,5-6,13-15H2,1H3