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

Systemtic Name: 4-[2-chloranyl-3-(3-chloranylpiperidin-1-yl)-4-methylsulfonyl-phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-[2-chloro-3-(3-chloro-1-piperidyl)-4-methylsulfonyl-benzoyl]-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[[2-chloro-3-(3-chloro-1-piperidinyl)-4-methylsulfonylphenyl]-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-[2-chloro-3-(3-chloropiperidin-1-yl)-4-methylsulfonylbenzoyl]-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-[2-chloro-3-(3-chloropiperidino)-4-mesyl-benzoyl]-2-ethyl-3-pyrazolin-3-one Formula: C18H21Cl2N3O4S MolecularWeight: 446.34804

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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)N3CCCC(C3)Cl)Cl

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)N3CCCC(C3)Cl)Cl

InChI

InChI=1S/C18H21Cl2N3O4S/c1-3-23-18(25)13(9-21-23)17(24)12-6-7-14(28(2,26)27)16(15(12)20)22-8-4-5-11(19)10-22/h6-7,9,11,21H,3-5,8,10H2,1-2H3