(2S)-2-azanyl-3-[3,4-bis(fluoranyl)phenyl]propane-1-sulfonic acid

Systemtic Name: (2S)-2-azanyl-3-[3,4-bis(fluoranyl)phenyl]propane-1-sulfonic acid Openeye Name: (2S)-2-amino-3-(3,4-difluorophenyl)propane-1-sulfonic acid CAS Name: (2S)-2-amino-3-(3,4-difluorophenyl)-1-propanesulfonic acid IUPAC Name: (2S)-2-amino-3-(3,4-difluorophenyl)propane-1-sulfonic acid Traditional Name: (2S)-2-amino-3-(3,4-difluorophenyl)propane-1-sulfonic acid Formula: C9H11F2NO3S MolecularWeight: 251.250346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(CS(=O)(=O)O)N)F)F

Isomeric SMILES

C1=CC(=C(C=C1C[C@@H](CS(=O)(=O)O)N)F)F

InChI

InChI=1S/C9H11F2NO3S/c10-8-2-1-6(4-9(8)11)3-7(12)5-16(13,14)15/h1-2,4,7H,3,5,12H2,(H,13,14,15)/t7-/m0/s1