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

Systemtic Name: 4-(2-chloranyl-4-methylsulfonyl-phenyl)carbonyl-2-propan-2-yl-1H-pyrazol-3-one Openeye Name: 4-(2-chloro-4-methylsulfonyl-benzoyl)-2-isopropyl-1H-pyrazol-3-one CAS Name: 4-[(2-chloro-4-methylsulfonylphenyl)-oxomethyl]-2-propan-2-yl-1H-pyrazol-3-one IUPAC Name: 4-(2-chloro-4-methylsulfonylbenzoyl)-2-propan-2-yl-1H-pyrazol-3-one Traditional Name: 4-(2-chloro-4-mesyl-benzoyl)-2-isopropyl-3-pyrazolin-3-one Formula: C14H15ClN2O4S MolecularWeight: 342.7979

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C(=CN1)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)Cl

Isomeric SMILES

CC(C)N1C(=O)C(=CN1)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C14H15ClN2O4S/c1-8(2)17-14(19)11(7-16-17)13(18)10-5-4-9(6-12(10)15)22(3,20)21/h4-8,16H,1-3H3