2-[[(2S)-2-[(4-fluorophenyl)-methylsulfonyl-amino]propanoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(2S)-2-[(4-fluorophenyl)-methylsulfonyl-amino]propanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(2S)-2-(4-fluoro-N-methylsulfonyl-anilino)propanoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2S)-2-(4-fluoro-N-methylsulfonylanilino)-1-oxopropyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(2S)-2-(4-fluoro-N-methylsulfonylanilino)propanoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(2S)-2-(4-fluoro-N-mesyl-anilino)propanoyl]amino]ethyl-dimethyl-ammonium Formula: C14H23FN3O3S+ MolecularWeight: 332.414123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC[NH+](C)C)N(C1=CC=C(C=C1)F)S(=O)(=O)C

Isomeric SMILES

C[C@@H](C(=O)NCC[NH+](C)C)N(C1=CC=C(C=C1)F)S(=O)(=O)C

InChI

InChI=1S/C14H22FN3O3S/c1-11(14(19)16-9-10-17(2)3)18(22(4,20)21)13-7-5-12(15)6-8-13/h5-8,11H,9-10H2,1-4H3,(H,16,19)/p+1/t11-/m0/s1