(5-cyano-2-fluoranyl-phenyl)methyl-[(1S)-1-(4-methylsulfonylphenyl)ethyl]azanium

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl-[(1S)-1-(4-methylsulfonylphenyl)ethyl]azanium Openeye Name: (5-cyano-2-fluoro-phenyl)methyl-[(1S)-1-(4-methylsulfonylphenyl)ethyl]ammonium CAS Name: (5-cyano-2-fluorophenyl)methyl-[(1S)-1-(4-methylsulfonylphenyl)ethyl]ammonium IUPAC Name: (5-cyano-2-fluorophenyl)methyl-[(1S)-1-(4-methylsulfonylphenyl)ethyl]azanium Traditional Name: (5-cyano-2-fluoro-benzyl)-[(1S)-1-(4-mesylphenyl)ethyl]ammonium Formula: C17H18FN2O2S+ MolecularWeight: 333.400423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)[NH2+]CC2=C(C=CC(=C2)C#N)F

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)S(=O)(=O)C)[NH2+]CC2=C(C=CC(=C2)C#N)F

InChI

InChI=1S/C17H17FN2O2S/c1-12(14-4-6-16(7-5-14)23(2,21)22)20-11-15-9-13(10-19)3-8-17(15)18/h3-9,12,20H,11H2,1-2H3/p+1/t12-/m0/s1