4-bromanyl-N-(2-cyanoethyl)-N-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-(2-cyanoethyl)-N-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzenesulfonamide Openeye Name: 4-bromo-N-(2-cyanoethyl)-N-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzenesulfonamide CAS Name: 4-bromo-N-(2-cyanoethyl)-N-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzenesulfonamide IUPAC Name: 4-bromo-N-(2-cyanoethyl)-N-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzenesulfonamide Traditional Name: 4-bromo-N-(2-cyanoethyl)-N-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzenesulfonamide Formula: C18H25BrN2O2S MolecularWeight: 413.3723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)N(CCC#N)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C[C@H]1C[C@H](CC(C1)(C)C)N(CCC#N)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H25BrN2O2S/c1-14-11-16(13-18(2,3)12-14)21(10-4-9-20)24(22,23)17-7-5-15(19)6-8-17/h5-8,14,16H,4,10-13H2,1-3H3/t14-,16+/m0/s1