4-[3-chloranyl-5-[[4-[2-fluoranyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyridin-2-yl]piperazine-2-carboxylic acid

Systemtic Name: 4-[3-chloranyl-5-[[4-[2-fluoranyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyridin-2-yl]piperazine-2-carboxylic acid Openeye Name: 4-[3-chloro-5-[[4-[2-fluoro-3-(trifluoromethyl)phenyl]thiazol-2-yl]carbamoyl]-2-pyridyl]piperazine-2-carboxylic acid CAS Name: 4-[3-chloro-5-[[[4-[2-fluoro-3-(trifluoromethyl)phenyl]-2-thiazolyl]amino]-oxomethyl]-2-pyridinyl]-2-piperazinecarboxylic acid IUPAC Name: 4-[3-chloro-5-[[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyridin-2-yl]piperazine-2-carboxylic acid Traditional Name: 4-[3-chloro-5-[[4-[2-fluoro-3-(trifluoromethyl)phenyl]thiazol-2-yl]carbamoyl]-2-pyridyl]piperazine-2-carboxylic acid Formula: C21H16ClF4N5O3S MolecularWeight: 529.895053

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)C(=O)O)C2=C(C=C(C=N2)C(=O)NC3=NC(=CS3)C4=C(C(=CC=C4)C(F)(F)F)F)Cl

Isomeric SMILES

C1CN(CC(N1)C(=O)O)C2=C(C=C(C=N2)C(=O)NC3=NC(=CS3)C4=C(C(=CC=C4)C(F)(F)F)F)Cl

InChI

InChI=1S/C21H16ClF4N5O3S/c22-13-6-10(7-28-17(13)31-5-4-27-14(8-31)19(33)34)18(32)30-20-29-15(9-35-20)11-2-1-3-12(16(11)23)21(24,25)26/h1-3,6-7,9,14,27H,4-5,8H2,(H,33,34)(H,29,30,32)