2-methoxy-1-[methoxy(phenyl)methyl]-2-(phenylsulfonyl)piperidine-4-carboxylic acid

Systemtic Name: 2-methoxy-1-[methoxy(phenyl)methyl]-2-(phenylsulfonyl)piperidine-4-carboxylic acid Openeye Name: 2-(benzenesulfonyl)-2-methoxy-1-[methoxy(phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 2-(benzenesulfonyl)-2-methoxy-1-[methoxy(phenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 2-(benzenesulfonyl)-2-methoxy-1-[methoxy(phenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 2-besyl-2-methoxy-1-[methoxy(phenyl)methyl]isonipecotic acid Formula: C21H25NO6S MolecularWeight: 419.4913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC=CC=C1)N2CCC(CC2(OC)S(=O)(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC(C1=CC=CC=C1)N2CCC(CC2(OC)S(=O)(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H25NO6S/c1-27-19(16-9-5-3-6-10-16)22-14-13-17(20(23)24)15-21(22,28-2)29(25,26)18-11-7-4-8-12-18/h3-12,17,19H,13-15H2,1-2H3,(H,23,24)