methyl 4-[4-[4-(3-hydroxyphenyl)-3-methyl-phenyl]piperidin-1-yl]sulfonyloxane-4-carboxylate

Systemtic Name: methyl 4-[4-[4-(3-hydroxyphenyl)-3-methyl-phenyl]piperidin-1-yl]sulfonyloxane-4-carboxylate Openeye Name: methyl 4-[[4-[4-(3-hydroxyphenyl)-3-methyl-phenyl]-1-piperidyl]sulfonyl]tetrahydropyran-4-carboxylate CAS Name: 4-[[4-[4-(3-hydroxyphenyl)-3-methylphenyl]-1-piperidinyl]sulfonyl]-4-oxanecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[4-(3-hydroxyphenyl)-3-methylphenyl]piperidin-1-yl]sulfonyloxane-4-carboxylate Traditional Name: 4-[4-[4-(3-hydroxyphenyl)-3-methyl-phenyl]piperidino]sulfonyltetrahydropyran-4-carboxylic acid methyl ester Formula: C25H31NO6S MolecularWeight: 473.58174

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO6S/c1-18-16-20(6-7-23(18)21-4-3-5-22(27)17-21)19-8-12-26(13-9-19)33(29,30)25(24(28)31-2)10-14-32-15-11-25/h3-7,16-17,19,27H,8-15H2,1-2H3