4-(4-butoxyphenyl)sulfonyl-1-butyl-piperidine-4-carboxylic acid

Systemtic Name: 4-(4-butoxyphenyl)sulfonyl-1-butyl-piperidine-4-carboxylic acid Openeye Name: 4-(4-butoxyphenyl)sulfonyl-1-butyl-piperidine-4-carboxylic acid CAS Name: 4-(4-butoxyphenyl)sulfonyl-1-butyl-4-piperidinecarboxylic acid IUPAC Name: 4-(4-butoxyphenyl)sulfonyl-1-butylpiperidine-4-carboxylic acid Traditional Name: 4-(4-butoxyphenyl)sulfonyl-1-butyl-isonipecotic acid Formula: C20H31NO5S MolecularWeight: 397.52884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO5S/c1-3-5-13-21-14-11-20(12-15-21,19(22)23)27(24,25)18-9-7-17(8-10-18)26-16-6-4-2/h7-10H,3-6,11-16H2,1-2H3,(H,22,23)