1-butyl-4-[4-(3-methylbutoxy)phenyl]sulfonyl-piperidine-4-carboxylic acid

Systemtic Name: 1-butyl-4-[4-(3-methylbutoxy)phenyl]sulfonyl-piperidine-4-carboxylic acid Openeye Name: 1-butyl-4-(4-isopentyloxyphenyl)sulfonyl-piperidine-4-carboxylic acid CAS Name: 1-butyl-4-[4-(3-methylbutoxy)phenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-butyl-4-[4-(3-methylbutoxy)phenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-butyl-4-(4-isoamoxyphenyl)sulfonyl-isonipecotic acid Formula: C21H33NO5S MolecularWeight: 411.55542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(CC1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCCC(C)C

Isomeric SMILES

CCCCN1CCC(CC1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCCC(C)C

InChI

InChI=1S/C21H33NO5S/c1-4-5-13-22-14-11-21(12-15-22,20(23)24)28(25,26)19-8-6-18(7-9-19)27-16-10-17(2)3/h6-9,17H,4-5,10-16H2,1-3H3,(H,23,24)