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

Systemtic Name: methyl 4-[4-[4-(3-methanoylphenyl)-3-methyl-phenyl]piperidin-1-yl]sulfonyloxane-4-carboxylate Openeye Name: methyl 4-[[4-[4-(3-formylphenyl)-3-methyl-phenyl]-1-piperidyl]sulfonyl]tetrahydropyran-4-carboxylate CAS Name: 4-[[4-[4-(3-formylphenyl)-3-methylphenyl]-1-piperidinyl]sulfonyl]-4-oxanecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[4-(3-formylphenyl)-3-methylphenyl]piperidin-1-yl]sulfonyloxane-4-carboxylate Traditional Name: 4-[4-[4-(3-formylphenyl)-3-methyl-phenyl]piperidino]sulfonyltetrahydropyran-4-carboxylic acid methyl ester Formula: C26H31NO6S MolecularWeight: 485.59244

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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)C=O

Isomeric SMILES

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

InChI

InChI=1S/C26H31NO6S/c1-19-16-22(6-7-24(19)23-5-3-4-20(17-23)18-28)21-8-12-27(13-9-21)34(30,31)26(25(29)32-2)10-14-33-15-11-26/h3-7,16-18,21H,8-15H2,1-2H3