N-(4-fluorophenyl)-2-[4-(trifluoromethylsulfonyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[4-(trifluoromethylsulfonyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-(trifluoromethylsulfonyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-(trifluoromethylsulfonyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-(trifluoromethylsulfonyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-(4-triflyl-1,4-diazepan-1-yl)acetamide Formula: C14H17F4N3O3S MolecularWeight: 383.361693

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C(F)(F)F)CC(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C(F)(F)F)CC(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C14H17F4N3O3S/c15-11-2-4-12(5-3-11)19-13(22)10-20-6-1-7-21(9-8-20)25(23,24)14(16,17)18/h2-5H,1,6-10H2,(H,19,22)