N5-(4-azanyl-3-methyl-butyl)-N5-hexyl-isoquinoline-1,5-disulfonamide

Systemtic Name: N5-(4-azanyl-3-methyl-butyl)-N5-hexyl-isoquinoline-1,5-disulfonamide Openeye Name: N5-(4-amino-3-methyl-butyl)-N5-hexyl-isoquinoline-1,5-disulfonamide CAS Name: N5-(4-amino-3-methylbutyl)-N5-hexylisoquinoline-1,5-disulfonamide IUPAC Name: 5-N-(4-amino-3-methylbutyl)-5-N-hexylisoquinoline-1,5-disulfonamide Traditional Name: N'-(4-amino-3-methyl-butyl)-N'-hexyl-isoquinoline-1,5-disulfonamide Formula: C20H32N4O4S2 MolecularWeight: 456.62248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O4S2/c1-3-4-5-6-13-24(14-11-16(2)15-21)30(27,28)19-9-7-8-18-17(19)10-12-23-20(18)29(22,25)26/h7-10,12,16H,3-6,11,13-15,21H2,1-2H3,(H2,22,25,26)