N5-(1-azanylheptan-4-yl)-N5-hexyl-isoquinoline-1,5-disulfonamide

Systemtic Name: N5-(1-azanylheptan-4-yl)-N5-hexyl-isoquinoline-1,5-disulfonamide Openeye Name: N5-(4-amino-1-propyl-butyl)-N5-hexyl-isoquinoline-1,5-disulfonamide CAS Name: N5-(1-aminoheptan-4-yl)-N5-hexylisoquinoline-1,5-disulfonamide IUPAC Name: 5-N-(1-aminoheptan-4-yl)-5-N-hexylisoquinoline-1,5-disulfonamide Traditional Name: N'-(4-amino-1-propyl-butyl)-N'-hexyl-isoquinoline-1,5-disulfonamide Formula: C22H36N4O4S2 MolecularWeight: 484.67564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N4O4S2/c1-3-5-6-7-17-26(18(10-4-2)11-9-15-23)32(29,30)21-13-8-12-20-19(21)14-16-25-22(20)31(24,27)28/h8,12-14,16,18H,3-7,9-11,15,17,23H2,1-2H3,(H2,24,27,28)