N5-hexyl-N5-[3-(hexylamino)propyl]isoquinoline-1,5-disulfonamide

Systemtic Name: N5-hexyl-N5-[3-(hexylamino)propyl]isoquinoline-1,5-disulfonamide Openeye Name: N5-hexyl-N5-[3-(hexylamino)propyl]isoquinoline-1,5-disulfonamide CAS Name: N5-hexyl-N5-[3-(hexylamino)propyl]isoquinoline-1,5-disulfonamide IUPAC Name: 5-N-hexyl-5-N-[3-(hexylamino)propyl]isoquinoline-1,5-disulfonamide Traditional Name: N'-hexyl-N'-[3-(hexylamino)propyl]isoquinoline-1,5-disulfonamide Formula: C24H40N4O4S2 MolecularWeight: 512.7288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H40N4O4S2/c1-3-5-7-9-16-26-17-12-20-28(19-10-8-6-4-2)34(31,32)23-14-11-13-22-21(23)15-18-27-24(22)33(25,29)30/h11,13-15,18,26H,3-10,12,16-17,19-20H2,1-2H3,(H2,25,29,30)