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

Systemtic Name: N5-(5-azanylpentan-2-yl)-N5-hexyl-isoquinoline-1,5-disulfonamide Openeye Name: N5-(4-amino-1-methyl-butyl)-N5-hexyl-isoquinoline-1,5-disulfonamide CAS Name: N5-(5-aminopentan-2-yl)-N5-hexylisoquinoline-1,5-disulfonamide IUPAC Name: 5-N-(5-aminopentan-2-yl)-5-N-hexylisoquinoline-1,5-disulfonamide Traditional Name: N'-(4-amino-1-methyl-butyl)-N'-hexyl-isoquinoline-1,5-disulfonamide Formula: C20H32N4O4S2 MolecularWeight: 456.62248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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