[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 1-methylsulfonylindoline-5-carboxylate CAS Name: 1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: 1-mesylindoline-5-carboxylic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC5=C(C=C4)N(CC5)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC5=C(C=C4)N(CC5)S(=O)(=O)C

InChI

InChI=1S/C23H29NO5S/c1-14(21(25)23-11-15-7-16(12-23)9-17(8-15)13-23)29-22(26)19-3-4-20-18(10-19)5-6-24(20)30(2,27)28/h3-4,10,14-17H,5-9,11-13H2,1-2H3