4-(1-adamantyl)-N-(3-methylsulfanylphenyl)benzenesulfonamide

Systemtic Name: 4-(1-adamantyl)-N-(3-methylsulfanylphenyl)benzenesulfonamide Openeye Name: 4-(1-adamantyl)-N-(3-methylsulfanylphenyl)benzenesulfonamide CAS Name: 4-(1-adamantyl)-N-[3-(methylthio)phenyl]benzenesulfonamide IUPAC Name: 4-(1-adamantyl)-N-(3-methylsulfanylphenyl)benzenesulfonamide Traditional Name: 4-(1-adamantyl)-N-[3-(methylthio)phenyl]benzenesulfonamide Formula: C23H27NO2S2 MolecularWeight: 413.59598

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CSC1=CC=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H27NO2S2/c1-27-21-4-2-3-20(12-21)24-28(25,26)22-7-5-19(6-8-22)23-13-16-9-17(14-23)11-18(10-16)15-23/h2-8,12,16-18,24H,9-11,13-15H2,1H3