4-[4-[4-[6-(2-hydroxyethyloxy)pyridin-2-yl]-3-methyl-phenyl]piperidin-1-yl]sulfonyl-1-methyl-piperidine-4-carboxylic acid

Systemtic Name: 4-[4-[4-[6-(2-hydroxyethyloxy)pyridin-2-yl]-3-methyl-phenyl]piperidin-1-yl]sulfonyl-1-methyl-piperidine-4-carboxylic acid Openeye Name: 4-[[4-[4-[6-(2-hydroxyethoxy)-2-pyridyl]-3-methyl-phenyl]-1-piperidyl]sulfonyl]-1-methyl-piperidine-4-carboxylic acid CAS Name: 4-[[4-[4-[6-(2-hydroxyethoxy)-2-pyridinyl]-3-methylphenyl]-1-piperidinyl]sulfonyl]-1-methyl-4-piperidinecarboxylic acid IUPAC Name: 4-[4-[4-[6-(2-hydroxyethoxy)pyridin-2-yl]-3-methylphenyl]piperidin-1-yl]sulfonyl-1-methylpiperidine-4-carboxylic acid Traditional Name: 4-[4-[4-[6-(2-hydroxyethoxy)-2-pyridyl]-3-methyl-phenyl]piperidino]sulfonyl-1-methyl-isonipecotic acid Formula: C26H35N3O6S MolecularWeight: 517.6376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C3(CCN(CC3)C)C(=O)O)C4=NC(=CC=C4)OCCO

Isomeric SMILES

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C3(CCN(CC3)C)C(=O)O)C4=NC(=CC=C4)OCCO

InChI

InChI=1S/C26H35N3O6S/c1-19-18-21(6-7-22(19)23-4-3-5-24(27-23)35-17-16-30)20-8-12-29(13-9-20)36(33,34)26(25(31)32)10-14-28(2)15-11-26/h3-7,18,20,30H,8-17H2,1-2H3,(H,31,32)