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

Systemtic Name: 4-[4-[3-methyl-4-(6-propoxypyridin-2-yl)phenyl]piperidin-1-yl]sulfonyloxane-4-carboxylic acid Openeye Name: 4-[[4-[3-methyl-4-(6-propoxy-2-pyridyl)phenyl]-1-piperidyl]sulfonyl]tetrahydropyran-4-carboxylic acid CAS Name: 4-[[4-[3-methyl-4-(6-propoxy-2-pyridinyl)phenyl]-1-piperidinyl]sulfonyl]-4-oxanecarboxylic acid IUPAC Name: 4-[4-[3-methyl-4-(6-propoxypyridin-2-yl)phenyl]piperidin-1-yl]sulfonyloxane-4-carboxylic acid Traditional Name: 4-[4-[3-methyl-4-(6-propoxy-2-pyridyl)phenyl]piperidino]sulfonyltetrahydropyran-4-carboxylic acid Formula: C26H34N2O6S MolecularWeight: 502.62296

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=N1)C2=C(C=C(C=C2)C3CCN(CC3)S(=O)(=O)C4(CCOCC4)C(=O)O)C

Isomeric SMILES

CCCOC1=CC=CC(=N1)C2=C(C=C(C=C2)C3CCN(CC3)S(=O)(=O)C4(CCOCC4)C(=O)O)C

InChI

InChI=1S/C26H34N2O6S/c1-3-15-34-24-6-4-5-23(27-24)22-8-7-21(18-19(22)2)20-9-13-28(14-10-20)35(31,32)26(25(29)30)11-16-33-17-12-26/h4-8,18,20H,3,9-17H2,1-2H3,(H,29,30)