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

Systemtic Name: 4-[2-chloranyl-3-(2-methoxyethylamino)-4-methylsulfonyl-phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-[2-chloro-3-(2-methoxyethylamino)-4-methylsulfonyl-benzoyl]-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[[2-chloro-3-(2-methoxyethylamino)-4-methylsulfonylphenyl]-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-[2-chloro-3-(2-methoxyethylamino)-4-methylsulfonylbenzoyl]-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-[2-chloro-4-mesyl-3-(2-methoxyethylamino)benzoyl]-2-ethyl-3-pyrazolin-3-one Formula: C16H20ClN3O5S MolecularWeight: 401.8651

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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)NCCOC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN3O5S/c1-4-20-16(22)11(9-19-20)15(21)10-5-6-12(26(3,23)24)14(13(10)17)18-7-8-25-2/h5-6,9,18-19H,4,7-8H2,1-3H3