N5-hexyl-N5-[6-(hexylamino)hexyl]isoquinoline-1,5-disulfonamide

Systemtic Name: N5-hexyl-N5-[6-(hexylamino)hexyl]isoquinoline-1,5-disulfonamide Openeye Name: N5-hexyl-N5-[6-(hexylamino)hexyl]isoquinoline-1,5-disulfonamide CAS Name: N5-hexyl-N5-[6-(hexylamino)hexyl]isoquinoline-1,5-disulfonamide IUPAC Name: 5-N-hexyl-5-N-[6-(hexylamino)hexyl]isoquinoline-1,5-disulfonamide Traditional Name: N'-hexyl-N'-[6-(hexylamino)hexyl]isoquinoline-1,5-disulfonamide Formula: C27H46N4O4S2 MolecularWeight: 554.80854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNCCCCCCN(CCCCCC)S(=O)(=O)C1=CC=CC2=C1C=CN=C2S(=O)(=O)N

Isomeric SMILES

CCCCCCNCCCCCCN(CCCCCC)S(=O)(=O)C1=CC=CC2=C1C=CN=C2S(=O)(=O)N

InChI

InChI=1S/C27H46N4O4S2/c1-3-5-7-11-19-29-20-12-9-10-14-23-31(22-13-8-6-4-2)37(34,35)26-17-15-16-25-24(26)18-21-30-27(25)36(28,32)33/h15-18,21,29H,3-14,19-20,22-23H2,1-2H3,(H2,28,32,33)