1,8-naphthyridin-2-yl-[4-[4-(trifluoromethyloxy)phenyl]sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: 1,8-naphthyridin-2-yl-[4-[4-(trifluoromethyloxy)phenyl]sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: 1,8-naphthyridin-2-yl-[4-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepan-1-yl]methanone CAS Name: 1,8-naphthyridin-2-yl-[4-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: 1,8-naphthyridin-2-yl-[4-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: 1,8-naphthyridin-2-yl-[4-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepan-1-yl]methanone Formula: C21H19F3N4O4S MolecularWeight: 480.46017

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F)C(=O)C3=NC4=C(C=CC=N4)C=C3

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F)C(=O)C3=NC4=C(C=CC=N4)C=C3

InChI

InChI=1S/C21H19F3N4O4S/c22-21(23,24)32-16-5-7-17(8-6-16)33(30,31)28-12-2-11-27(13-14-28)20(29)18-9-4-15-3-1-10-25-19(15)26-18/h1,3-10H,2,11-14H2