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

Systemtic Name: [(2R)-1-[(2-bromanyl-4-methyl-phenyl)amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1R)-1-[(2-bromo-4-methyl-phenyl)carbamoyl]-3-methylsulfonyl-propyl]ammonium CAS Name: [(2R)-1-(2-bromo-4-methylanilino)-4-methylsulfonyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2R)-1-(2-bromo-4-methylanilino)-4-methylsulfonyl-1-oxobutan-2-yl]azanium Traditional Name: [(1R)-1-[(2-bromo-4-methyl-phenyl)carbamoyl]-3-mesyl-propyl]ammonium Formula: C12H18BrN2O3S+ MolecularWeight: 350.25192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(CCS(=O)(=O)C)[NH3+])Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@@H](CCS(=O)(=O)C)[NH3+])Br

InChI

InChI=1S/C12H17BrN2O3S/c1-8-3-4-11(9(13)7-8)15-12(16)10(14)5-6-19(2,17)18/h3-4,7,10H,5-6,14H2,1-2H3,(H,15,16)/p+1/t10-/m1/s1