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

Systemtic Name: 1-[(1-ethanoyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]piperidine-4-carboxylic acid Openeye Name: 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]piperidine-4-carboxylic acid CAS Name: 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]piperidine-4-carboxylic acid Traditional Name: 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]isonipecotic acid Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O5S/c1-12(20)19-8-2-3-14-11-15(4-5-16(14)19)25(23,24)18-9-6-13(7-10-18)17(21)22/h4-5,11,13H,2-3,6-10H2,1H3,(H,21,22)