methyl 4-[4-[4-[3-[2,3-bis(oxidanyl)propoxy]phenyl]-3-methyl-phenyl]piperidin-1-yl]sulfonyloxane-4-carboxylate

Systemtic Name: methyl 4-[4-[4-[3-[2,3-bis(oxidanyl)propoxy]phenyl]-3-methyl-phenyl]piperidin-1-yl]sulfonyloxane-4-carboxylate Openeye Name: methyl 4-[[4-[4-[3-(2,3-dihydroxypropoxy)phenyl]-3-methyl-phenyl]-1-piperidyl]sulfonyl]tetrahydropyran-4-carboxylate CAS Name: 4-[[4-[4-[3-(2,3-dihydroxypropoxy)phenyl]-3-methylphenyl]-1-piperidinyl]sulfonyl]-4-oxanecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[4-[3-(2,3-dihydroxypropoxy)phenyl]-3-methylphenyl]piperidin-1-yl]sulfonyloxane-4-carboxylate Traditional Name: 4-[4-[4-(3-glyceryloxyphenyl)-3-methyl-phenyl]piperidino]sulfonyltetrahydropyran-4-carboxylic acid methyl ester Formula: C28H37NO8S MolecularWeight: 547.66028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C3(CCOCC3)C(=O)OC)C4=CC(=CC=C4)OCC(CO)O

Isomeric SMILES

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C3(CCOCC3)C(=O)OC)C4=CC(=CC=C4)OCC(CO)O

InChI

InChI=1S/C28H37NO8S/c1-20-16-22(6-7-26(20)23-4-3-5-25(17-23)37-19-24(31)18-30)21-8-12-29(13-9-21)38(33,34)28(27(32)35-2)10-14-36-15-11-28/h3-7,16-17,21,24,30-31H,8-15,18-19H2,1-2H3