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

Systemtic Name: methyl 2-[4-[4-(3-methanoylphenyl)-3-methyl-phenyl]piperidin-1-yl]sulfonyloxane-4-carboxylate Openeye Name: methyl 2-[[4-[4-(3-formylphenyl)-3-methyl-phenyl]-1-piperidyl]sulfonyl]tetrahydropyran-4-carboxylate CAS Name: 2-[[4-[4-(3-formylphenyl)-3-methylphenyl]-1-piperidinyl]sulfonyl]-4-oxanecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-[4-(3-formylphenyl)-3-methylphenyl]piperidin-1-yl]sulfonyloxane-4-carboxylate Traditional Name: 2-[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)C3CC(CCO3)C(=O)OC)C4=CC(=CC=C4)C=O

Isomeric SMILES

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C3CC(CCO3)C(=O)OC)C4=CC(=CC=C4)C=O

InChI

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