3-[1-[3,5-bis(fluoranyl)phenyl]ethylamino]propane-1-sulfonic acid

Systemtic Name: 3-[1-[3,5-bis(fluoranyl)phenyl]ethylamino]propane-1-sulfonic acid Openeye Name: 3-[1-(3,5-difluorophenyl)ethylamino]propane-1-sulfonic acid CAS Name: 3-[1-(3,5-difluorophenyl)ethylamino]-1-propanesulfonic acid IUPAC Name: 3-[1-(3,5-difluorophenyl)ethylamino]propane-1-sulfonic acid Traditional Name: 3-[1-(3,5-difluorophenyl)ethylamino]propane-1-sulfonic acid Formula: C11H15F2NO3S MolecularWeight: 279.303506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC(=C1)F)F)NCCCS(=O)(=O)O

Isomeric SMILES

CC(C1=CC(=CC(=C1)F)F)NCCCS(=O)(=O)O

InChI

InChI=1S/C11H15F2NO3S/c1-8(14-3-2-4-18(15,16)17)9-5-10(12)7-11(13)6-9/h5-8,14H,2-4H2,1H3,(H,15,16,17)