N-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]-N-(4-fluorophenyl)isoquinoline-5-sulfonamide

Systemtic Name: N-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]-N-(4-fluorophenyl)isoquinoline-5-sulfonamide Openeye Name: N-(4-fluorophenyl)-N-(2-indolin-1-yl-2-oxo-ethyl)isoquinoline-5-sulfonamide CAS Name: N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)-5-isoquinolinesulfonamide IUPAC Name: N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)isoquinoline-5-sulfonamide Traditional Name: N-(4-fluorophenyl)-N-(2-indolin-1-yl-2-keto-ethyl)isoquinoline-5-sulfonamide Formula: C25H20FN3O3S MolecularWeight: 461.508003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(=O)CN(C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1CN(C2=CC=CC=C21)C(=O)CN(C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C25H20FN3O3S/c26-20-8-10-21(11-9-20)29(17-25(30)28-15-13-18-4-1-2-6-23(18)28)33(31,32)24-7-3-5-19-16-27-14-12-22(19)24/h1-12,14,16H,13,15,17H2