4-[2-chloranyl-4-ethylsulfonyl-3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)phenyl]carbonyl-2-methyl-1H-pyrazol-3-one

Systemtic Name: 4-[2-chloranyl-4-ethylsulfonyl-3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)phenyl]carbonyl-2-methyl-1H-pyrazol-3-one Openeye Name: 4-[2-chloro-4-ethylsulfonyl-3-(2-oxo-2-pyrrolidin-1-yl-ethoxy)benzoyl]-2-methyl-1H-pyrazol-3-one CAS Name: 4-[[2-chloro-4-ethylsulfonyl-3-[2-oxo-2-(1-pyrrolidinyl)ethoxy]phenyl]-oxomethyl]-2-methyl-1H-pyrazol-3-one IUPAC Name: 4-[2-chloro-4-ethylsulfonyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoyl]-2-methyl-1H-pyrazol-3-one Traditional Name: 4-[2-chloro-4-esyl-3-(2-keto-2-pyrrolidino-ethoxy)benzoyl]-2-methyl-3-pyrazolin-3-one Formula: C19H22ClN3O6S MolecularWeight: 455.91248

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2=CNN(C2=O)C)Cl)OCC(=O)N3CCCC3

Isomeric SMILES

CCS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2=CNN(C2=O)C)Cl)OCC(=O)N3CCCC3

InChI

InChI=1S/C19H22ClN3O6S/c1-3-30(27,28)14-7-6-12(17(25)13-10-21-22(2)19(13)26)16(20)18(14)29-11-15(24)23-8-4-5-9-23/h6-7,10,21H,3-5,8-9,11H2,1-2H3