2-(4-butoxyphenyl)sulfonyl-1-ethyl-piperidine-4-carboxylic acid

Systemtic Name: 2-(4-butoxyphenyl)sulfonyl-1-ethyl-piperidine-4-carboxylic acid Openeye Name: 2-(4-butoxyphenyl)sulfonyl-1-ethyl-piperidine-4-carboxylic acid CAS Name: 2-(4-butoxyphenyl)sulfonyl-1-ethyl-4-piperidinecarboxylic acid IUPAC Name: 2-(4-butoxyphenyl)sulfonyl-1-ethylpiperidine-4-carboxylic acid Traditional Name: 2-(4-butoxyphenyl)sulfonyl-1-ethyl-isonipecotic acid Formula: C18H27NO5S MolecularWeight: 369.47568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2CC(CCN2CC)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2CC(CCN2CC)C(=O)O

InChI

InChI=1S/C18H27NO5S/c1-3-5-12-24-15-6-8-16(9-7-15)25(22,23)17-13-14(18(20)21)10-11-19(17)4-2/h6-9,14,17H,3-5,10-13H2,1-2H3,(H,20,21)