1,3-bis(oxidanylidene)-2-[[3-(trifluoromethylsulfonyl)phenyl]methyl]-4H-isoquinoline-4-carboxamide

Systemtic Name: 1,3-bis(oxidanylidene)-2-[[3-(trifluoromethylsulfonyl)phenyl]methyl]-4H-isoquinoline-4-carboxamide Openeye Name: 1,3-dioxo-2-[[3-(trifluoromethylsulfonyl)phenyl]methyl]-4H-isoquinoline-4-carboxamide CAS Name: 1,3-dioxo-2-[[3-(trifluoromethylsulfonyl)phenyl]methyl]-4H-isoquinoline-4-carboxamide IUPAC Name: 1,3-dioxo-2-[[3-(trifluoromethylsulfonyl)phenyl]methyl]-4H-isoquinoline-4-carboxamide Traditional Name: 1,3-diketo-2-(3-triflylbenzyl)-4H-isoquinoline-4-carboxamide Formula: C18H13F3N2O5S MolecularWeight: 426.36643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(=O)N(C2=O)CC3=CC(=CC=C3)S(=O)(=O)C(F)(F)F)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(C(=O)N(C2=O)CC3=CC(=CC=C3)S(=O)(=O)C(F)(F)F)C(=O)N

InChI

InChI=1S/C18H13F3N2O5S/c19-18(20,21)29(27,28)11-5-3-4-10(8-11)9-23-16(25)13-7-2-1-6-12(13)14(15(22)24)17(23)26/h1-8,14H,9H2,(H2,22,24)