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

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(4-fluorophenyl)isoquinoline-5-sulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(4-fluorophenyl)isoquinoline-5-sulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-(4-fluorophenyl)-5-isoquinolinesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)isoquinoline-5-sulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-(4-fluorophenyl)isoquinoline-5-sulfonamide Formula: C23H24FN3O3S MolecularWeight: 441.518363

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C23H24FN3O3S/c24-19-8-10-20(11-9-19)27(17-23(28)26-14-3-1-2-4-15-26)31(29,30)22-7-5-6-18-16-25-13-12-21(18)22/h5-13,16H,1-4,14-15,17H2