1-(4-butoxyphenyl)sulfonylpiperidine-2-carboxylic acid

Systemtic Name: 1-(4-butoxyphenyl)sulfonylpiperidine-2-carboxylic acid Openeye Name: 1-(4-butoxyphenyl)sulfonylpiperidine-2-carboxylic acid CAS Name: 1-(4-butoxyphenyl)sulfonyl-2-piperidinecarboxylic acid IUPAC Name: 1-(4-butoxyphenyl)sulfonylpiperidine-2-carboxylic acid Traditional Name: 1-(4-butoxyphenyl)sulfonylpipecolinic acid Formula: C16H23NO5S MolecularWeight: 341.42252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)O

InChI

InChI=1S/C16H23NO5S/c1-2-3-12-22-13-7-9-14(10-8-13)23(20,21)17-11-5-4-6-15(17)16(18)19/h7-10,15H,2-6,11-12H2,1H3,(H,18,19)