3-[1-[4-(trifluoromethyl)phenyl]ethylamino]propane-1-sulfonic acid

Systemtic Name: 3-[1-[4-(trifluoromethyl)phenyl]ethylamino]propane-1-sulfonic acid Openeye Name: 3-[1-[4-(trifluoromethyl)phenyl]ethylamino]propane-1-sulfonic acid CAS Name: 3-[1-[4-(trifluoromethyl)phenyl]ethylamino]-1-propanesulfonic acid IUPAC Name: 3-[1-[4-(trifluoromethyl)phenyl]ethylamino]propane-1-sulfonic acid Traditional Name: 3-[1-[4-(trifluoromethyl)phenyl]ethylamino]propane-1-sulfonic acid Formula: C12H16F3NO3S MolecularWeight: 311.32055

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16F3NO3S/c1-9(16-7-2-8-20(17,18)19)10-3-5-11(6-4-10)12(13,14)15/h3-6,9,16H,2,7-8H2,1H3,(H,17,18,19)