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

Systemtic Name: 1-[[4-(4-fluoranyl-3-methyl-phenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidine-2-carboxylic acid Openeye Name: 1-[[4-(4-fluoro-3-methyl-phenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidine-2-carboxylic acid CAS Name: 1-[[4-(4-fluoro-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[[4-(4-fluoro-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidine-2-carboxylic acid Traditional Name: 1-[[4-(4-fluoro-3-methyl-phenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]pipecolinic acid Formula: C18H23FN2O4S MolecularWeight: 382.449623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CCN(CC2)S(=O)(=O)N3CCCCC3C(=O)O)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CCN(CC2)S(=O)(=O)N3CCCCC3C(=O)O)F

InChI

InChI=1S/C18H23FN2O4S/c1-13-12-15(5-6-16(13)19)14-7-10-20(11-8-14)26(24,25)21-9-3-2-4-17(21)18(22)23/h5-7,12,17H,2-4,8-11H2,1H3,(H,22,23)