4-(2-chloranyl-4-methylsulfonyl-3-pyrrolidin-1-yl-phenyl)carbonyl-2-ethyl-1H-pyrazol-3-one

Systemtic Name: 4-(2-chloranyl-4-methylsulfonyl-3-pyrrolidin-1-yl-phenyl)carbonyl-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-(2-chloro-4-methylsulfonyl-3-pyrrolidin-1-yl-benzoyl)-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[[2-chloro-4-methylsulfonyl-3-(1-pyrrolidinyl)phenyl]-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-(2-chloro-4-methylsulfonyl-3-pyrrolidin-1-ylbenzoyl)-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-(2-chloro-4-mesyl-3-pyrrolidino-benzoyl)-2-ethyl-3-pyrazolin-3-one Formula: C17H20ClN3O4S MolecularWeight: 397.8764

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)N3CCCC3)Cl

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)N3CCCC3)Cl

InChI

InChI=1S/C17H20ClN3O4S/c1-3-21-17(23)12(10-19-21)16(22)11-6-7-13(26(2,24)25)15(14(11)18)20-8-4-5-9-20/h6-7,10,19H,3-5,8-9H2,1-2H3