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

Systemtic Name: 4-[2-chloranyl-3-(3-ethoxypiperidin-1-yl)-4-methylsulfonyl-phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-[2-chloro-3-(3-ethoxy-1-piperidyl)-4-methylsulfonyl-benzoyl]-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[[2-chloro-3-(3-ethoxy-1-piperidinyl)-4-methylsulfonylphenyl]-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-[2-chloro-3-(3-ethoxypiperidin-1-yl)-4-methylsulfonylbenzoyl]-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-[2-chloro-3-(3-ethoxypiperidino)-4-mesyl-benzoyl]-2-ethyl-3-pyrazolin-3-one Formula: C20H26ClN3O5S MolecularWeight: 455.95554

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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)OCC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClN3O5S/c1-4-24-20(26)15(11-22-24)19(25)14-8-9-16(30(3,27)28)18(17(14)21)23-10-6-7-13(12-23)29-5-2/h8-9,11,13,22H,4-7,10,12H2,1-3H3