N5-(2-dimethylaminoethyl)-N5-hexyl-isoquinoline-1,5-disulfonamide

Systemtic Name: N5-(2-dimethylaminoethyl)-N5-hexyl-isoquinoline-1,5-disulfonamide Openeye Name: N5-(2-dimethylaminoethyl)-N5-hexyl-isoquinoline-1,5-disulfonamide CAS Name: N5-(2-dimethylaminoethyl)-N5-hexylisoquinoline-1,5-disulfonamide IUPAC Name: 5-N-(2-dimethylaminoethyl)-5-N-hexylisoquinoline-1,5-disulfonamide Traditional Name: N'-(2-dimethylaminoethyl)-N'-hexyl-isoquinoline-1,5-disulfonamide Formula: C19H30N4O4S2 MolecularWeight: 442.5959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O4S2/c1-4-5-6-7-13-23(15-14-22(2)3)29(26,27)18-10-8-9-17-16(18)11-12-21-19(17)28(20,24)25/h8-12H,4-7,13-15H2,1-3H3,(H2,20,24,25)