[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3-(3,4-dimethylphenyl)adamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3-(3,4-dimethylphenyl)adamantane-1-carboxylate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl] 3-(3,4-dimethylphenyl)adamantane-1-carboxylate CAS Name: 3-(3,4-dimethylphenyl)-1-adamantanecarboxylic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3-(3,4-dimethylphenyl)adamantane-1-carboxylate Traditional Name: 3-(3,4-dimethylphenyl)adamantane-1-carboxylic acid [2-keto-2-(4-piperidinosulfonylphenyl)ethyl] ester Formula: C32H39NO5S MolecularWeight: 549.72076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC(=O)C5=CC=C(C=C5)S(=O)(=O)N6CCCCC6)C

Isomeric SMILES

CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC(=O)C5=CC=C(C=C5)S(=O)(=O)N6CCCCC6)C

InChI

InChI=1S/C32H39NO5S/c1-22-6-9-27(14-23(22)2)31-16-24-15-25(17-31)19-32(18-24,21-31)30(35)38-20-29(34)26-7-10-28(11-8-26)39(36,37)33-12-4-3-5-13-33/h6-11,14,24-25H,3-5,12-13,15-21H2,1-2H3