4-[1-[3,5-bis(trifluoromethyl)phenyl]ethylamino]benzenesulfonic acid

Systemtic Name: 4-[1-[3,5-bis(trifluoromethyl)phenyl]ethylamino]benzenesulfonic acid Openeye Name: 4-[1-[3,5-bis(trifluoromethyl)phenyl]ethylamino]benzenesulfonic acid CAS Name: 4-[1-[3,5-bis(trifluoromethyl)phenyl]ethylamino]benzenesulfonic acid IUPAC Name: 4-[1-[3,5-bis(trifluoromethyl)phenyl]ethylamino]benzenesulfonic acid Traditional Name: 4-[1-[3,5-bis(trifluoromethyl)phenyl]ethylamino]besylic acid Formula: C16H13F6NO3S MolecularWeight: 413.334739

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)NC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)NC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C16H13F6NO3S/c1-9(23-13-2-4-14(5-3-13)27(24,25)26)10-6-11(15(17,18)19)8-12(7-10)16(20,21)22/h2-9,23H,1H3,(H,24,25,26)