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

Systemtic Name: methyl 4-[4-[3-methyl-4-[6-(2-oxidanylpropoxy)pyridin-2-yl]phenyl]piperidin-1-yl]sulfonylpiperidine-4-carboxylate Openeye Name: methyl 4-[[4-[4-[6-(2-hydroxypropoxy)-2-pyridyl]-3-methyl-phenyl]-1-piperidyl]sulfonyl]piperidine-4-carboxylate CAS Name: 4-[[4-[4-[6-(2-hydroxypropoxy)-2-pyridinyl]-3-methylphenyl]-1-piperidinyl]sulfonyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[4-[6-(2-hydroxypropoxy)pyridin-2-yl]-3-methylphenyl]piperidin-1-yl]sulfonylpiperidine-4-carboxylate Traditional Name: 4-[4-[4-[6-(2-hydroxypropoxy)-2-pyridyl]-3-methyl-phenyl]piperidino]sulfonylisonipecotic acid methyl ester Formula: C27H37N3O6S MolecularWeight: 531.66418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C3(CCNCC3)C(=O)OC)C4=NC(=CC=C4)OCC(C)O

Isomeric SMILES

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C3(CCNCC3)C(=O)OC)C4=NC(=CC=C4)OCC(C)O

InChI

InChI=1S/C27H37N3O6S/c1-19-17-22(7-8-23(19)24-5-4-6-25(29-24)36-18-20(2)31)21-9-15-30(16-10-21)37(33,34)27(26(32)35-3)11-13-28-14-12-27/h4-8,17,20-21,28,31H,9-16,18H2,1-3H3