2-(1-adamantylsulfanyl)-1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanone

Systemtic Name: 2-(1-adamantylsulfanyl)-1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanone Openeye Name: 2-(1-adamantylsulfanyl)-1-(1-methylsulfonylindolin-5-yl)ethanone CAS Name: 2-(1-adamantylthio)-1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanone IUPAC Name: 2-(1-adamantylsulfanyl)-1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanone Traditional Name: 2-(1-adamantylthio)-1-(1-mesylindolin-5-yl)ethanone Formula: C21H27NO3S2 MolecularWeight: 405.57398

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)CSC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)CSC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H27NO3S2/c1-27(24,25)22-5-4-17-9-18(2-3-19(17)22)20(23)13-26-21-10-14-6-15(11-21)8-16(7-14)12-21/h2-3,9,14-16H,4-8,10-13H2,1H3