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

Systemtic Name: 4-(2-chloranyl-4-methylsulfonyl-3-piperidin-1-yl-phenyl)carbonyl-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-[2-chloro-4-methylsulfonyl-3-(1-piperidyl)benzoyl]-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[[2-chloro-4-methylsulfonyl-3-(1-piperidinyl)phenyl]-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-(2-chloro-4-methylsulfonyl-3-piperidin-1-ylbenzoyl)-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-(2-chloro-4-mesyl-3-piperidino-benzoyl)-2-ethyl-3-pyrazolin-3-one Formula: C18H22ClN3O4S MolecularWeight: 411.90298

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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)N3CCCCC3)Cl

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)N3CCCCC3)Cl

InChI

InChI=1S/C18H22ClN3O4S/c1-3-22-18(24)13(11-20-22)17(23)12-7-8-14(27(2,25)26)16(15(12)19)21-9-5-4-6-10-21/h7-8,11,20H,3-6,9-10H2,1-2H3