N-[bis[4-(trifluoromethylsulfanyl)phenyl]methyl]-1-azacyclotridecen-2-amine

Systemtic Name: N-[bis[4-(trifluoromethylsulfanyl)phenyl]methyl]-1-azacyclotridecen-2-amine Openeye Name: N-[bis[4-(trifluoromethylsulfanyl)phenyl]methyl]-1-azacyclotridecen-2-amine CAS Name: N-[bis[4-(trifluoromethylthio)phenyl]methyl]-1-azacyclotridecen-2-amine IUPAC Name: N-[bis[4-(trifluoromethylsulfanyl)phenyl]methyl]-1-azacyclotridecen-2-amine Traditional Name: 1-azacyclotridecen-2-yl-[bis[4-(trifluoromethylthio)phenyl]methyl]amine Formula: C27H32F6N2S2 MolecularWeight: 562.676799

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(=NCCCCC1)NC(C2=CC=C(C=C2)SC(F)(F)F)C3=CC=C(C=C3)SC(F)(F)F

Isomeric SMILES

C1CCCCCC(=NCCCCC1)NC(C2=CC=C(C=C2)SC(F)(F)F)C3=CC=C(C=C3)SC(F)(F)F

InChI

InChI=1S/C27H32F6N2S2/c28-26(29,30)36-22-15-11-20(12-16-22)25(21-13-17-23(18-14-21)37-27(31,32)33)35-24-10-8-6-4-2-1-3-5-7-9-19-34-24/h11-18,25H,1-10,19H2,(H,34,35)