[3-[(1S)-1-azaniumylethyl]phenyl]sulfonyl-(2-chloranyl-4-fluoranyl-phenyl)azanide

Systemtic Name: [3-[(1S)-1-azaniumylethyl]phenyl]sulfonyl-(2-chloranyl-4-fluoranyl-phenyl)azanide Openeye Name: [3-[(1S)-1-azaniumylethyl]phenyl]sulfonyl-(2-chloro-4-fluoro-phenyl)azanide CAS Name: [3-[(1S)-1-ammonioethyl]phenyl]sulfonyl-(2-chloro-4-fluorophenyl)azanide IUPAC Name: [3-[(1S)-1-azaniumylethyl]phenyl]sulfonyl-(2-chloro-4-fluorophenyl)azanide Traditional Name: [3-[(1S)-1-ammonioethyl]phenyl]sulfonyl-(2-chloro-4-fluoro-phenyl)azanide Formula: C14H14ClFN2O2S MolecularWeight: 328.789563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)S(=O)(=O)[N-]C2=C(C=C(C=C2)F)Cl)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)S(=O)(=O)[N-]C2=C(C=C(C=C2)F)Cl)[NH3+]

InChI

InChI=1S/C14H13ClFN2O2S/c1-9(17)10-3-2-4-12(7-10)21(19,20)18-14-6-5-11(16)8-13(14)15/h2-9H,17H2,1H3/q-1/p+1/t9-/m0/s1