3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-olate

Systemtic Name: 3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-olate Openeye Name: 3-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]-1-[2-(trifluoromethyl)phenyl]pyrazol-4-olate CAS Name: 3-[oxo-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]-1-[2-(trifluoromethyl)phenyl]-4-pyrazololate IUPAC Name: 3-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrazol-4-olate Traditional Name: 3-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]-1-[2-(trifluoromethyl)phenyl]pyrazol-4-olate Formula: C19H16F3N4O4S2- MolecularWeight: 485.47995

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=NN(C=C2[O-])C3=CC=CC=C3C(F)(F)F)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)C2=NN(C=C2[O-])C3=CC=CC=C3C(F)(F)F)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H17F3N4O4S2/c20-19(21,22)13-4-1-2-5-14(13)26-12-15(27)17(23-26)18(28)24-7-9-25(10-8-24)32(29,30)16-6-3-11-31-16/h1-6,11-12,27H,7-10H2/p-1