[(2R)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2R)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1R)-1-[(3-fluoro-4-methyl-phenyl)carbamoyl]-3-methylsulfonyl-propyl]ammonium CAS Name: [(2R)-1-(3-fluoro-4-methylanilino)-4-methylsulfonyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2R)-1-(3-fluoro-4-methylanilino)-4-methylsulfonyl-1-oxobutan-2-yl]azanium Traditional Name: [(1R)-1-[(3-fluoro-4-methyl-phenyl)carbamoyl]-3-mesyl-propyl]ammonium Formula: C12H18FN2O3S+ MolecularWeight: 289.346323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17FN2O3S/c1-8-3-4-9(7-10(8)13)15-12(16)11(14)5-6-19(2,17)18/h3-4,7,11H,5-6,14H2,1-2H3,(H,15,16)/p+1/t11-/m1/s1