1-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]piperidine-4-carboxylic acid Openeye Name: 1-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]piperidine-4-carboxylic acid CAS Name: 1-[[1-(1-oxopropyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]piperidine-4-carboxylic acid Traditional Name: 1-[(1-propionyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]isonipecotic acid Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H24N2O5S/c1-2-17(21)20-9-3-4-14-12-15(5-6-16(14)20)26(24,25)19-10-7-13(8-11-19)18(22)23/h5-6,12-13H,2-4,7-11H2,1H3,(H,22,23)