1-[4-[[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbonylamino]phenyl]sulfonylpiperidine-3-carboxylic acid

Systemtic Name: 1-[4-[[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbonylamino]phenyl]sulfonylpiperidine-3-carboxylic acid Openeye Name: 1-[4-[[2-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]phenyl]sulfonylpiperidine-3-carboxylic acid CAS Name: 1-[4-[[[2-methyl-5-(trifluoromethyl)-3-pyrazolyl]-oxomethyl]amino]phenyl]sulfonyl-3-piperidinecarboxylic acid IUPAC Name: 1-[4-[[2-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]phenyl]sulfonylpiperidine-3-carboxylic acid Traditional Name: 1-[4-[[2-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]phenyl]sulfonylnipecotic acid Formula: C18H19F3N4O5S MolecularWeight: 460.42747

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)O

Isomeric SMILES

CN1C(=CC(=N1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C18H19F3N4O5S/c1-24-14(9-15(23-24)18(19,20)21)16(26)22-12-4-6-13(7-5-12)31(29,30)25-8-2-3-11(10-25)17(27)28/h4-7,9,11H,2-3,8,10H2,1H3,(H,22,26)(H,27,28)