4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-1-(phenylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-1-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: 1-benzyl-4-[benzyl-(4-methoxyphenyl)sulfonyl-amino]piperidine-4-carboxylic acid CAS Name: 4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-1-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 1-benzyl-4-[benzyl-(4-methoxyphenyl)sulfonylamino]piperidine-4-carboxylic acid Traditional Name: 1-benzyl-4-[benzyl-(4-methoxyphenyl)sulfonyl-amino]isonipecotic acid Formula: C27H30N2O5S MolecularWeight: 494.6025

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3(CCN(CC3)CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3(CCN(CC3)CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H30N2O5S/c1-34-24-12-14-25(15-13-24)35(32,33)29(21-23-10-6-3-7-11-23)27(26(30)31)16-18-28(19-17-27)20-22-8-4-2-5-9-22/h2-15H,16-21H2,1H3,(H,30,31)