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

Systemtic Name: 5-methyl-2-phenyl-4-(4-piperidin-1-ylsulfonylphenyl)carbonyl-pyrazol-3-olate Openeye Name: 5-methyl-2-phenyl-4-[4-(1-piperidylsulfonyl)benzoyl]pyrazol-3-olate CAS Name: 5-methyl-4-[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]-2-phenyl-3-pyrazololate IUPAC Name: 5-methyl-2-phenyl-4-(4-piperidin-1-ylsulfonylbenzoyl)pyrazol-3-olate Traditional Name: 5-methyl-2-phenyl-4-(4-piperidinosulfonylbenzoyl)pyrazol-3-olate Formula: C22H22N3O4S- MolecularWeight: 424.49278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)[O-])C4=CC=CC=C4

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/h2,4-5,8-13,27H,3,6-7,14-15H2,1H3/p-1