4-[2-chloranyl-3-(3,6-dihydro-2H-pyridin-1-yl)-4-methylsulfonyl-phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one

Systemtic Name: 4-[2-chloranyl-3-(3,6-dihydro-2H-pyridin-1-yl)-4-methylsulfonyl-phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-[2-chloro-3-(3,6-dihydro-2H-pyridin-1-yl)-4-methylsulfonyl-benzoyl]-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[[2-chloro-3-(3,6-dihydro-2H-pyridin-1-yl)-4-methylsulfonylphenyl]-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-[2-chloro-3-(3,6-dihydro-2H-pyridin-1-yl)-4-methylsulfonylbenzoyl]-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-[2-chloro-3-(3,6-dihydro-2H-pyridin-1-yl)-4-mesyl-benzoyl]-2-ethyl-3-pyrazolin-3-one Formula: C18H20ClN3O4S MolecularWeight: 409.8871

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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)N3CCC=CC3)Cl

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)N3CCC=CC3)Cl

InChI

InChI=1S/C18H20ClN3O4S/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/h4-5,7-8,11,20H,3,6,9-10H2,1-2H3