3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]azepan-2-one

Systemtic Name: 3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]azepan-2-one Openeye Name: 3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]azepan-2-one CAS Name: 3-[[4-(trifluoromethylthio)phenyl]methylamino]-2-azepanone IUPAC Name: 3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]azepan-2-one Traditional Name: 3-[[4-(trifluoromethylthio)benzyl]amino]azepan-2-one Formula: C14H17F3N2OS MolecularWeight: 318.35779

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NCC2=CC=C(C=C2)SC(F)(F)F

Isomeric SMILES

C1CCNC(=O)C(C1)NCC2=CC=C(C=C2)SC(F)(F)F

InChI

InChI=1S/C14H17F3N2OS/c15-14(16,17)21-11-6-4-10(5-7-11)9-19-12-3-1-2-8-18-13(12)20/h4-7,12,19H,1-3,8-9H2,(H,18,20)