[2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl] adamantane-2-carboxylate

Systemtic Name: [2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-(1-methylsulfonylindolin-5-yl)-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-keto-2-(1-mesylindolin-5-yl)ethyl] ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)COC(=O)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)COC(=O)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C22H27NO5S/c1-29(26,27)23-5-4-15-11-16(2-3-19(15)23)20(24)12-28-22(25)21-17-7-13-6-14(9-17)10-18(21)8-13/h2-3,11,13-14,17-18,21H,4-10,12H2,1H3