N-(2-azanylethyl)-7-[3-[bis(fluoranyl)methyl]phenyl]isoquinoline-5-sulfonamide

Systemtic Name: N-(2-azanylethyl)-7-[3-[bis(fluoranyl)methyl]phenyl]isoquinoline-5-sulfonamide Openeye Name: N-(2-aminoethyl)-7-[3-(difluoromethyl)phenyl]isoquinoline-5-sulfonamide CAS Name: N-(2-aminoethyl)-7-[3-(difluoromethyl)phenyl]-5-isoquinolinesulfonamide IUPAC Name: N-(2-aminoethyl)-7-[3-(difluoromethyl)phenyl]isoquinoline-5-sulfonamide Traditional Name: N-(2-aminoethyl)-7-[3-(difluoromethyl)phenyl]isoquinoline-5-sulfonamide Formula: C18H17F2N3O2S MolecularWeight: 377.408286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)F)C2=CC(=C3C=CN=CC3=C2)S(=O)(=O)NCCN

Isomeric SMILES

C1=CC(=CC(=C1)C(F)F)C2=CC(=C3C=CN=CC3=C2)S(=O)(=O)NCCN

InChI

InChI=1S/C18H17F2N3O2S/c19-18(20)13-3-1-2-12(8-13)14-9-15-11-22-6-4-16(15)17(10-14)26(24,25)23-7-5-21/h1-4,6,8-11,18,23H,5,7,21H2