N5-(1-azanylhexan-2-yl)-N5-hexyl-isoquinoline-1,5-disulfonamide

Systemtic Name: N5-(1-azanylhexan-2-yl)-N5-hexyl-isoquinoline-1,5-disulfonamide Openeye Name: N5-[1-(aminomethyl)pentyl]-N5-hexyl-isoquinoline-1,5-disulfonamide CAS Name: N5-(1-aminohexan-2-yl)-N5-hexylisoquinoline-1,5-disulfonamide IUPAC Name: 5-N-(1-aminohexan-2-yl)-5-N-hexylisoquinoline-1,5-disulfonamide Traditional Name: N'-[1-(aminomethyl)pentyl]-N'-hexyl-isoquinoline-1,5-disulfonamide Formula: C21H34N4O4S2 MolecularWeight: 470.64906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C(CCCC)CN)S(=O)(=O)C1=CC=CC2=C1C=CN=C2S(=O)(=O)N

Isomeric SMILES

CCCCCCN(C(CCCC)CN)S(=O)(=O)C1=CC=CC2=C1C=CN=C2S(=O)(=O)N

InChI

InChI=1S/C21H34N4O4S2/c1-3-5-7-8-15-25(17(16-22)10-6-4-2)31(28,29)20-12-9-11-19-18(20)13-14-24-21(19)30(23,26)27/h9,11-14,17H,3-8,10,15-16,22H2,1-2H3,(H2,23,26,27)