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

Systemtic Name: [(2S)-1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(4-bromo-2-fluoro-phenyl)carbamoyl]-3-methylsulfonyl-propyl]ammonium CAS Name: [(2S)-1-(4-bromo-2-fluoroanilino)-4-methylsulfonyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-bromo-2-fluoroanilino)-4-methylsulfonyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(4-bromo-2-fluoro-phenyl)carbamoyl]-3-mesyl-propyl]ammonium Formula: C11H15BrFN2O3S+ MolecularWeight: 354.215803

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)NC1=C(C=C(C=C1)Br)F)[NH3+]

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)NC1=C(C=C(C=C1)Br)F)[NH3+]

InChI

InChI=1S/C11H14BrFN2O3S/c1-19(17,18)5-4-9(14)11(16)15-10-3-2-7(12)6-8(10)13/h2-3,6,9H,4-5,14H2,1H3,(H,15,16)/p+1/t9-/m0/s1