4-[4-[1-(2-methoxyphenyl)piperidin-4-yl]piperidin-1-yl]sulfonyl-1-(phenylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 4-[4-[1-(2-methoxyphenyl)piperidin-4-yl]piperidin-1-yl]sulfonyl-1-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: 1-benzyl-4-[[4-[1-(2-methoxyphenyl)-4-piperidyl]-1-piperidyl]sulfonyl]piperidine-4-carboxylic acid CAS Name: 4-[[4-[1-(2-methoxyphenyl)-4-piperidinyl]-1-piperidinyl]sulfonyl]-1-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 1-benzyl-4-[4-[1-(2-methoxyphenyl)piperidin-4-yl]piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-benzyl-4-[4-[1-(2-methoxyphenyl)-4-piperidyl]piperidino]sulfonyl-isonipecotic acid Formula: C30H41N3O5S MolecularWeight: 555.72864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCC(CC2)C3CCN(CC3)S(=O)(=O)C4(CCN(CC4)CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1N2CCC(CC2)C3CCN(CC3)S(=O)(=O)C4(CCN(CC4)CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C30H41N3O5S/c1-38-28-10-6-5-9-27(28)32-17-11-25(12-18-32)26-13-19-33(20-14-26)39(36,37)30(29(34)35)15-21-31(22-16-30)23-24-7-3-2-4-8-24/h2-10,25-26H,11-23H2,1H3,(H,34,35)