N5-hexyl-N5-[2-(hexylamino)propyl]isoquinoline-1,5-disulfonamide

Systemtic Name: N5-hexyl-N5-[2-(hexylamino)propyl]isoquinoline-1,5-disulfonamide Openeye Name: N5-hexyl-N5-[2-(hexylamino)propyl]isoquinoline-1,5-disulfonamide CAS Name: N5-hexyl-N5-[2-(hexylamino)propyl]isoquinoline-1,5-disulfonamide IUPAC Name: 5-N-hexyl-5-N-[2-(hexylamino)propyl]isoquinoline-1,5-disulfonamide Traditional Name: N'-hexyl-N'-[2-(hexylamino)propyl]isoquinoline-1,5-disulfonamide Formula: C24H40N4O4S2 MolecularWeight: 512.7288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H40N4O4S2/c1-4-6-8-10-16-26-20(3)19-28(18-11-9-7-5-2)34(31,32)23-14-12-13-22-21(23)15-17-27-24(22)33(25,29)30/h12-15,17,20,26H,4-11,16,18-19H2,1-3H3,(H2,25,29,30)