methyl 4-[4-[3-methyl-4-[3-(2-methylpropoxy)phenyl]phenyl]piperidin-1-yl]sulfonyloxane-4-carboxylate

Systemtic Name: methyl 4-[4-[3-methyl-4-[3-(2-methylpropoxy)phenyl]phenyl]piperidin-1-yl]sulfonyloxane-4-carboxylate Openeye Name: methyl 4-[[4-[4-(3-isobutoxyphenyl)-3-methyl-phenyl]-1-piperidyl]sulfonyl]tetrahydropyran-4-carboxylate CAS Name: 4-[[4-[3-methyl-4-[3-(2-methylpropoxy)phenyl]phenyl]-1-piperidinyl]sulfonyl]-4-oxanecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[3-methyl-4-[3-(2-methylpropoxy)phenyl]phenyl]piperidin-1-yl]sulfonyloxane-4-carboxylate Traditional Name: 4-[4-[4-(3-isobutoxyphenyl)-3-methyl-phenyl]piperidino]sulfonyltetrahydropyran-4-carboxylic acid methyl ester Formula: C29H39NO6S MolecularWeight: 529.68806

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H39NO6S/c1-21(2)20-36-26-7-5-6-25(19-26)27-9-8-24(18-22(27)3)23-10-14-30(15-11-23)37(32,33)29(28(31)34-4)12-16-35-17-13-29/h5-9,18-19,21,23H,10-17,20H2,1-4H3