4-[[3-(trifluoromethyl)phenyl]methylamino]benzenesulfonic acid

Systemtic Name: 4-[[3-(trifluoromethyl)phenyl]methylamino]benzenesulfonic acid Openeye Name: 4-[[3-(trifluoromethyl)phenyl]methylamino]benzenesulfonic acid CAS Name: 4-[[3-(trifluoromethyl)phenyl]methylamino]benzenesulfonic acid IUPAC Name: 4-[[3-(trifluoromethyl)phenyl]methylamino]benzenesulfonic acid Traditional Name: 4-[[3-(trifluoromethyl)benzyl]amino]besylic acid Formula: C14H12F3NO3S MolecularWeight: 331.31019

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CNC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CNC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C14H12F3NO3S/c15-14(16,17)11-3-1-2-10(8-11)9-18-12-4-6-13(7-5-12)22(19,20)21/h1-8,18H,9H2,(H,19,20,21)