2-(1-adamantylsulfanyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone

Systemtic Name: 2-(1-adamantylsulfanyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Openeye Name: 2-(1-adamantylsulfanyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone CAS Name: 2-(1-adamantylthio)-1-[4-(1-pyrrolidinylsulfonyl)phenyl]ethanone IUPAC Name: 2-(1-adamantylsulfanyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Traditional Name: 2-(1-adamantylthio)-1-(4-pyrrolidinosulfonylphenyl)ethanone Formula: C22H29NO3S2 MolecularWeight: 419.60056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29NO3S2/c24-21(15-27-22-12-16-9-17(13-22)11-18(10-16)14-22)19-3-5-20(6-4-19)28(25,26)23-7-1-2-8-23/h3-6,16-18H,1-2,7-15H2