4-(4-but-2-ynoxyphenyl)sulfonyl-1-pentyl-piperidine-4-carboxylic acid

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-pentyl-piperidine-4-carboxylic acid Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-pentyl-piperidine-4-carboxylic acid CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-pentyl-4-piperidinecarboxylic acid IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-pentylpiperidine-4-carboxylic acid Traditional Name: 1-amyl-4-(4-but-2-ynoxyphenyl)sulfonyl-isonipecotic acid Formula: C21H29NO5S MolecularWeight: 407.52366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCC(CC1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC#CC

Isomeric SMILES

CCCCCN1CCC(CC1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC#CC

InChI

InChI=1S/C21H29NO5S/c1-3-5-7-14-22-15-12-21(13-16-22,20(23)24)28(25,26)19-10-8-18(9-11-19)27-17-6-4-2/h8-11H,3,5,7,12-17H2,1-2H3,(H,23,24)