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

Systemtic Name: 4-[4-[4-[6-(2-hydroxyethyloxy)pyridin-2-yl]-3-methyl-phenyl]piperidin-1-yl]sulfonyloxane-4-carboxylic acid Openeye Name: 4-[[4-[4-[6-(2-hydroxyethoxy)-2-pyridyl]-3-methyl-phenyl]-1-piperidyl]sulfonyl]tetrahydropyran-4-carboxylic acid CAS Name: 4-[[4-[4-[6-(2-hydroxyethoxy)-2-pyridinyl]-3-methylphenyl]-1-piperidinyl]sulfonyl]-4-oxanecarboxylic acid IUPAC Name: 4-[4-[4-[6-(2-hydroxyethoxy)pyridin-2-yl]-3-methylphenyl]piperidin-1-yl]sulfonyloxane-4-carboxylic acid Traditional Name: 4-[4-[4-[6-(2-hydroxyethoxy)-2-pyridyl]-3-methyl-phenyl]piperidino]sulfonyltetrahydropyran-4-carboxylic acid Formula: C25H32N2O7S MolecularWeight: 504.59578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C3(CCOCC3)C(=O)O)C4=NC(=CC=C4)OCCO

Isomeric SMILES

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C3(CCOCC3)C(=O)O)C4=NC(=CC=C4)OCCO

InChI

InChI=1S/C25H32N2O7S/c1-18-17-20(5-6-21(18)22-3-2-4-23(26-22)34-16-13-28)19-7-11-27(12-8-19)35(31,32)25(24(29)30)9-14-33-15-10-25/h2-6,17,19,28H,7-16H2,1H3,(H,29,30)