2-(1-adamantylsulfanyl)-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone

Systemtic Name: 2-(1-adamantylsulfanyl)-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone Openeye Name: 2-(1-adamantylsulfanyl)-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone CAS Name: 2-(1-adamantylthio)-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone IUPAC Name: 2-(1-adamantylsulfanyl)-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone Traditional Name: 2-(1-adamantylthio)-1-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)ethanone Formula: C22H29NO3S2 MolecularWeight: 419.60056

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)CSC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)CSC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29NO3S2/c1-28(25,26)23-6-2-3-18-10-19(4-5-20(18)23)21(24)14-27-22-11-15-7-16(12-22)9-17(8-15)13-22/h4-5,10,15-17H,2-3,6-9,11-14H2,1H3