1-pyrrolidin-1-yl-2-[4-[2-(trifluoromethylsulfonyl)phenyl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-pyrrolidin-1-yl-2-[4-[2-(trifluoromethylsulfonyl)phenyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 1-pyrrolidin-1-yl-2-[4-[2-(trifluoromethylsulfonyl)phenyl]-1,4-diazepan-1-yl]ethanone CAS Name: 1-(1-pyrrolidinyl)-2-[4-[2-(trifluoromethylsulfonyl)phenyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-pyrrolidin-1-yl-2-[4-[2-(trifluoromethylsulfonyl)phenyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 1-pyrrolidino-2-[4-(2-triflylphenyl)-1,4-diazepan-1-yl]ethanone Formula: C18H24F3N3O3S MolecularWeight: 419.46167

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2CCCN(CC2)C3=CC=CC=C3S(=O)(=O)C(F)(F)F

Isomeric SMILES

C1CCN(C1)C(=O)CN2CCCN(CC2)C3=CC=CC=C3S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C18H24F3N3O3S/c19-18(20,21)28(26,27)16-7-2-1-6-15(16)23-11-5-8-22(12-13-23)14-17(25)24-9-3-4-10-24/h1-2,6-7H,3-5,8-14H2