4-(4-butoxyphenyl)sulfonyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 4-(4-butoxyphenyl)sulfonyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxylic acid Openeye Name: 4-(4-butoxyphenyl)sulfonyl-1-(2-pyridylmethyl)piperidine-4-carboxylic acid CAS Name: 4-(4-butoxyphenyl)sulfonyl-1-(2-pyridinylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 4-(4-butoxyphenyl)sulfonyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxylic acid Traditional Name: 4-(4-butoxyphenyl)sulfonyl-1-(2-pyridylmethyl)isonipecotic acid Formula: C22H28N2O5S MolecularWeight: 432.53312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CC=CC=N3)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CC=CC=N3)C(=O)O

InChI

InChI=1S/C22H28N2O5S/c1-2-3-16-29-19-7-9-20(10-8-19)30(27,28)22(21(25)26)11-14-24(15-12-22)17-18-6-4-5-13-23-18/h4-10,13H,2-3,11-12,14-17H2,1H3,(H,25,26)