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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2CC(CCN2CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2CC(CCN2CC3=CC=CC=C3)C(=O)O

InChI

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