4-ethanoyl-5-methyl-2-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrazol-3-one

Systemtic Name: 4-ethanoyl-5-methyl-2-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrazol-3-one Openeye Name: 4-acetyl-5-methyl-2-[4-(1-piperidylsulfonyl)phenyl]-1H-pyrazol-3-one CAS Name: 4-acetyl-5-methyl-2-[4-(1-piperidinylsulfonyl)phenyl]-1H-pyrazol-3-one IUPAC Name: 4-acetyl-5-methyl-2-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrazol-3-one Traditional Name: 4-acetyl-5-methyl-2-(4-piperidinosulfonylphenyl)-3-pyrazolin-3-one Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)C

InChI

InChI=1S/C17H21N3O4S/c1-12-16(13(2)21)17(22)20(18-12)14-6-8-15(9-7-14)25(23,24)19-10-4-3-5-11-19/h6-9,18H,3-5,10-11H2,1-2H3