N-[2-[[3-(4-fluorophenyl)-3-oxidanyl-propyl]amino]ethyl]-7-phenyl-isoquinoline-5-sulfonamide

Systemtic Name: N-[2-[[3-(4-fluorophenyl)-3-oxidanyl-propyl]amino]ethyl]-7-phenyl-isoquinoline-5-sulfonamide Openeye Name: N-[2-[[3-(4-fluorophenyl)-3-hydroxy-propyl]amino]ethyl]-7-phenyl-isoquinoline-5-sulfonamide CAS Name: N-[2-[[3-(4-fluorophenyl)-3-hydroxypropyl]amino]ethyl]-7-phenyl-5-isoquinolinesulfonamide IUPAC Name: N-[2-[[3-(4-fluorophenyl)-3-hydroxypropyl]amino]ethyl]-7-phenylisoquinoline-5-sulfonamide Traditional Name: N-[2-[[3-(4-fluorophenyl)-3-hydroxy-propyl]amino]ethyl]-7-phenyl-isoquinoline-5-sulfonamide Formula: C26H26FN3O3S MolecularWeight: 479.566343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=C3C=CN=CC3=C2)S(=O)(=O)NCCNCCC(C4=CC=C(C=C4)F)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=C3C=CN=CC3=C2)S(=O)(=O)NCCNCCC(C4=CC=C(C=C4)F)O

InChI

InChI=1S/C26H26FN3O3S/c27-23-8-6-20(7-9-23)25(31)11-13-28-14-15-30-34(32,33)26-17-21(19-4-2-1-3-5-19)16-22-18-29-12-10-24(22)26/h1-10,12,16-18,25,28,30-31H,11,13-15H2