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

Systemtic Name: 5-methyl-2-phenyl-4-(4-piperidin-1-ylsulfonylphenyl)carbonyl-1H-pyrazol-3-one Openeye Name: 5-methyl-2-phenyl-4-[4-(1-piperidylsulfonyl)benzoyl]-1H-pyrazol-3-one CAS Name: 5-methyl-4-[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]-2-phenyl-1H-pyrazol-3-one IUPAC Name: 5-methyl-2-phenyl-4-(4-piperidin-1-ylsulfonylbenzoyl)-1H-pyrazol-3-one Traditional Name: 5-methyl-2-phenyl-4-(4-piperidinosulfonylbenzoyl)-3-pyrazolin-3-one Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H23N3O4S/c1-16-20(22(27)25(23-16)18-8-4-2-5-9-18)21(26)17-10-12-19(13-11-17)30(28,29)24-14-6-3-7-15-24/h2,4-5,8-13,23H,3,6-7,14-15H2,1H3