4-[2-chloranyl-4-methylsulfonyl-3-(piperidin-1-ylamino)phenyl]carbonyl-2-methyl-1H-pyrazol-3-one

Systemtic Name: 4-[2-chloranyl-4-methylsulfonyl-3-(piperidin-1-ylamino)phenyl]carbonyl-2-methyl-1H-pyrazol-3-one Openeye Name: 4-[2-chloro-4-methylsulfonyl-3-(1-piperidylamino)benzoyl]-2-methyl-1H-pyrazol-3-one CAS Name: 4-[[2-chloro-4-methylsulfonyl-3-(1-piperidinylamino)phenyl]-oxomethyl]-2-methyl-1H-pyrazol-3-one IUPAC Name: 4-[2-chloro-4-methylsulfonyl-3-(piperidin-1-ylamino)benzoyl]-2-methyl-1H-pyrazol-3-one Traditional Name: 4-[2-chloro-4-mesyl-3-(piperidinoamino)benzoyl]-2-methyl-3-pyrazolin-3-one Formula: C17H21ClN4O4S MolecularWeight: 412.89104

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)NN3CCCCC3)Cl

Isomeric SMILES

CN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)NN3CCCCC3)Cl

InChI

InChI=1S/C17H21ClN4O4S/c1-21-17(24)12(10-19-21)16(23)11-6-7-13(27(2,25)26)15(14(11)18)20-22-8-4-3-5-9-22/h6-7,10,19-20H,3-5,8-9H2,1-2H3