1-[[4-(3-chloranyl-4-fluoranyl-phenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[[4-(3-chloranyl-4-fluoranyl-phenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidine-2-carboxylic acid Openeye Name: 1-[[4-(3-chloro-4-fluoro-phenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidine-2-carboxylic acid CAS Name: 1-[[4-(3-chloro-4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[[4-(3-chloro-4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidine-2-carboxylic acid Traditional Name: 1-[[4-(3-chloro-4-fluoro-phenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]pipecolinic acid Formula: C17H20ClFN2O4S MolecularWeight: 402.868103

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)S(=O)(=O)N2CCC(=CC2)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CCN(C(C1)C(=O)O)S(=O)(=O)N2CCC(=CC2)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C17H20ClFN2O4S/c18-14-11-13(4-5-15(14)19)12-6-9-20(10-7-12)26(24,25)21-8-2-1-3-16(21)17(22)23/h4-6,11,16H,1-3,7-10H2,(H,22,23)