4-butoxy-1-(phenylmethyl)-2-(phenylsulfonyl)piperidine-4-carboxylic acid

Systemtic Name: 4-butoxy-1-(phenylmethyl)-2-(phenylsulfonyl)piperidine-4-carboxylic acid Openeye Name: 2-(benzenesulfonyl)-1-benzyl-4-butoxy-piperidine-4-carboxylic acid CAS Name: 2-(benzenesulfonyl)-4-butoxy-1-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 2-(benzenesulfonyl)-1-benzyl-4-butoxypiperidine-4-carboxylic acid Traditional Name: 1-benzyl-2-besyl-4-butoxy-isonipecotic acid Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1(CCN(C(C1)S(=O)(=O)C2=CC=CC=C2)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCOC1(CCN(C(C1)S(=O)(=O)C2=CC=CC=C2)CC3=CC=CC=C3)C(=O)O

InChI

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