N-[[3,5-bis(trifluoromethyl)phenyl]methyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]isoquinoline-5-sulfonamide Openeye Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]isoquinoline-5-sulfonamide CAS Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-isoquinolinesulfonamide IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]isoquinoline-5-sulfonamide Traditional Name: N-[3,5-bis(trifluoromethyl)benzyl]isoquinoline-5-sulfonamide Formula: C18H12F6N2O2S MolecularWeight: 434.355499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H12F6N2O2S/c19-17(20,21)13-6-11(7-14(8-13)18(22,23)24)9-26-29(27,28)16-3-1-2-12-10-25-5-4-15(12)16/h1-8,10,26H,9H2