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

Systemtic Name: 4-(2-butoxyphenyl)sulfonyl-1-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: 1-benzyl-4-(2-butoxyphenyl)sulfonyl-piperidine-4-carboxylic acid CAS Name: 4-(2-butoxyphenyl)sulfonyl-1-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 1-benzyl-4-(2-butoxyphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-benzyl-4-(2-butoxyphenyl)sulfonyl-isonipecotic acid Formula: C23H29NO5S MolecularWeight: 431.54506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1S(=O)(=O)C2(CCN(CC2)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCOC1=CC=CC=C1S(=O)(=O)C2(CCN(CC2)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H29NO5S/c1-2-3-17-29-20-11-7-8-12-21(20)30(27,28)23(22(25)26)13-15-24(16-14-23)18-19-9-5-4-6-10-19/h4-12H,2-3,13-18H2,1H3,(H,25,26)