[(2R)-1-[(4-bromanyl-2,6-dimethyl-phenyl)amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2R)-1-[(4-bromanyl-2,6-dimethyl-phenyl)amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1R)-1-[(4-bromo-2,6-dimethyl-phenyl)carbamoyl]-3-methylsulfonyl-propyl]ammonium CAS Name: [(2R)-1-(4-bromo-2,6-dimethylanilino)-4-methylsulfonyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2R)-1-(4-bromo-2,6-dimethylanilino)-4-methylsulfonyl-1-oxobutan-2-yl]azanium Traditional Name: [(1R)-1-[(4-bromo-2,6-dimethyl-phenyl)carbamoyl]-3-mesyl-propyl]ammonium Formula: C13H20BrN2O3S+ MolecularWeight: 364.2785

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)C(CCS(=O)(=O)C)[NH3+])C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)[C@@H](CCS(=O)(=O)C)[NH3+])C)Br

InChI

InChI=1S/C13H19BrN2O3S/c1-8-6-10(14)7-9(2)12(8)16-13(17)11(15)4-5-20(3,18)19/h6-7,11H,4-5,15H2,1-3H3,(H,16,17)/p+1/t11-/m1/s1