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

Systemtic Name: [2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl] adamantane-1-carboxylate Openeye Name: [2-(1-methylsulfonylindolin-5-yl)-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-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-1-carboxylate Traditional Name: adamantane-1-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)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)COC(=O)C34CC5CC(C3)CC(C5)C4

InChI

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