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

Systemtic Name: 1-[(1-ethanoyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]piperidine-3-carboxylic acid Openeye Name: 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]piperidine-3-carboxylic acid CAS Name: 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]piperidine-3-carboxylic acid Traditional Name: 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]nipecotic 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)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C17H22N2O5S/c1-12(20)19-9-3-4-13-10-15(6-7-16(13)19)25(23,24)18-8-2-5-14(11-18)17(21)22/h6-7,10,14H,2-5,8-9,11H2,1H3,(H,21,22)