N-(1-adamantyl)-N-(4-bromanylbutyl)-4-methyl-benzenesulfonamide

Systemtic Name: N-(1-adamantyl)-N-(4-bromanylbutyl)-4-methyl-benzenesulfonamide Openeye Name: N-(1-adamantyl)-N-(4-bromobutyl)-4-methyl-benzenesulfonamide CAS Name: N-(1-adamantyl)-N-(4-bromobutyl)-4-methylbenzenesulfonamide IUPAC Name: N-(1-adamantyl)-N-(4-bromobutyl)-4-methylbenzenesulfonamide Traditional Name: N-(1-adamantyl)-N-(4-bromobutyl)-4-methyl-benzenesulfonamide Formula: C21H30BrNO2S MolecularWeight: 440.4374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCCCBr)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCCCBr)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H30BrNO2S/c1-16-4-6-20(7-5-16)26(24,25)23(9-3-2-8-22)21-13-17-10-18(14-21)12-19(11-17)15-21/h4-7,17-19H,2-3,8-15H2,1H3