N-(4-fluorophenyl)-N-(2-morpholin-4-yl-2-oxidanylidene-ethyl)isoquinoline-5-sulfonamide

Systemtic Name: N-(4-fluorophenyl)-N-(2-morpholin-4-yl-2-oxidanylidene-ethyl)isoquinoline-5-sulfonamide Openeye Name: N-(4-fluorophenyl)-N-(2-morpholino-2-oxo-ethyl)isoquinoline-5-sulfonamide CAS Name: N-(4-fluorophenyl)-N-[2-(4-morpholinyl)-2-oxoethyl]-5-isoquinolinesulfonamide IUPAC Name: N-(4-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)isoquinoline-5-sulfonamide Traditional Name: N-(4-fluorophenyl)-N-(2-keto-2-morpholino-ethyl)isoquinoline-5-sulfonamide Formula: C21H20FN3O4S MolecularWeight: 429.464603

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1COCCN1C(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H20FN3O4S/c22-17-4-6-18(7-5-17)25(15-21(26)24-10-12-29-13-11-24)30(27,28)20-3-1-2-16-14-23-9-8-19(16)20/h1-9,14H,10-13,15H2