N5-butyl-N5-[2-(propylamino)octyl]isoquinoline-1,5-disulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CN(CCCC)S(=O)(=O)C1=CC=CC2=C1C=CN=C2S(=O)(=O)N)NCCC

Isomeric SMILES

CCCCCCC(CN(CCCC)S(=O)(=O)C1=CC=CC2=C1C=CN=C2S(=O)(=O)N)NCCC

InChI

InChI=1S/C24H40N4O4S2/c1-4-7-9-10-12-20(26-16-6-3)19-28(18-8-5-2)34(31,32)23-14-11-13-22-21(23)15-17-27-24(22)33(25,29)30/h11,13-15,17,20,26H,4-10,12,16,18-19H2,1-3H3,(H2,25,29,30)