2,2-bis(fluoranyl)-3-[[(1S)-1-phenylpropyl]amino]propane-1-sulfonic acid

Systemtic Name: 2,2-bis(fluoranyl)-3-[[(1S)-1-phenylpropyl]amino]propane-1-sulfonic acid Openeye Name: 2,2-difluoro-3-[[(1S)-1-phenylpropyl]amino]propane-1-sulfonic acid CAS Name: 2,2-difluoro-3-[[(1S)-1-phenylpropyl]amino]-1-propanesulfonic acid IUPAC Name: 2,2-difluoro-3-[[(1S)-1-phenylpropyl]amino]propane-1-sulfonic acid Traditional Name: 2,2-difluoro-3-[[(1S)-1-phenylpropyl]amino]propane-1-sulfonic acid Formula: C12H17F2NO3S MolecularWeight: 293.330086

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NCC(CS(=O)(=O)O)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C12H17F2NO3S/c1-2-11(10-6-4-3-5-7-10)15-8-12(13,14)9-19(16,17)18/h3-7,11,15H,2,8-9H2,1H3,(H,16,17,18)/t11-/m0/s1