6-[[3-cyclopentyl-2-[4-(trifluoromethylsulfonyl)phenyl]propanoyl]amino]pyridine-3-carboxylic acid

Systemtic Name: 6-[[3-cyclopentyl-2-[4-(trifluoromethylsulfonyl)phenyl]propanoyl]amino]pyridine-3-carboxylic acid Openeye Name: 6-[[3-cyclopentyl-2-[4-(trifluoromethylsulfonyl)phenyl]propanoyl]amino]pyridine-3-carboxylic acid CAS Name: 6-[[3-cyclopentyl-1-oxo-2-[4-(trifluoromethylsulfonyl)phenyl]propyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 6-[[3-cyclopentyl-2-[4-(trifluoromethylsulfonyl)phenyl]propanoyl]amino]pyridine-3-carboxylic acid Traditional Name: 6-[[3-cyclopentyl-2-(4-triflylphenyl)propanoyl]amino]nicotinic acid Formula: C21H21F3N2O5S MolecularWeight: 470.46205

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC(C2=CC=C(C=C2)S(=O)(=O)C(F)(F)F)C(=O)NC3=NC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCC(C1)CC(C2=CC=C(C=C2)S(=O)(=O)C(F)(F)F)C(=O)NC3=NC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H21F3N2O5S/c22-21(23,24)32(30,31)16-8-5-14(6-9-16)17(11-13-3-1-2-4-13)19(27)26-18-10-7-15(12-25-18)20(28)29/h5-10,12-13,17H,1-4,11H2,(H,28,29)(H,25,26,27)