methyl 1-methyl-4-[4-[3-methyl-4-[6-(2-oxidanylpropoxy)pyridin-2-yl]phenyl]piperidin-1-yl]sulfonyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-methyl-4-[4-[3-methyl-4-[6-(2-oxidanylpropoxy)pyridin-2-yl]phenyl]piperidin-1-yl]sulfonyl-piperidine-4-carboxylate Openeye Name: methyl 4-[[4-[4-[6-(2-hydroxypropoxy)-2-pyridyl]-3-methyl-phenyl]-1-piperidyl]sulfonyl]-1-methyl-piperidine-4-carboxylate CAS Name: 4-[[4-[4-[6-(2-hydroxypropoxy)-2-pyridinyl]-3-methylphenyl]-1-piperidinyl]sulfonyl]-1-methyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[4-[6-(2-hydroxypropoxy)pyridin-2-yl]-3-methylphenyl]piperidin-1-yl]sulfonyl-1-methylpiperidine-4-carboxylate Traditional Name: 4-[4-[4-[6-(2-hydroxypropoxy)-2-pyridyl]-3-methyl-phenyl]piperidino]sulfonyl-1-methyl-isonipecotic acid methyl ester Formula: C28H39N3O6S MolecularWeight: 545.69076

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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)OC)C4=NC(=CC=C4)OCC(C)O

Isomeric SMILES

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

InChI

InChI=1S/C28H39N3O6S/c1-20-18-23(8-9-24(20)25-6-5-7-26(29-25)37-19-21(2)32)22-10-14-31(15-11-22)38(34,35)28(27(33)36-4)12-16-30(3)17-13-28/h5-9,18,21-22,32H,10-17,19H2,1-4H3