N'-[2-(trifluoromethylsulfonyl)phenyl]propane-1,3-diamine

Systemtic Name: N'-[2-(trifluoromethylsulfonyl)phenyl]propane-1,3-diamine Openeye Name: N'-[2-(trifluoromethylsulfonyl)phenyl]propane-1,3-diamine CAS Name: N'-[2-(trifluoromethylsulfonyl)phenyl]propane-1,3-diamine IUPAC Name: N'-[2-(trifluoromethylsulfonyl)phenyl]propane-1,3-diamine Traditional Name: 3-aminopropyl-(2-triflylphenyl)amine Formula: C10H13F3N2O2S MolecularWeight: 282.28263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NCCCN)S(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)NCCCN)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C10H13F3N2O2S/c11-10(12,13)18(16,17)9-5-2-1-4-8(9)15-7-3-6-14/h1-2,4-5,15H,3,6-7,14H2