N5-hexyl-N5-(2-piperidin-1-ylpropyl)isoquinoline-1,5-disulfonamide

Systemtic Name: N5-hexyl-N5-(2-piperidin-1-ylpropyl)isoquinoline-1,5-disulfonamide Openeye Name: N5-hexyl-N5-[2-(1-piperidyl)propyl]isoquinoline-1,5-disulfonamide CAS Name: N5-hexyl-N5-[2-(1-piperidinyl)propyl]isoquinoline-1,5-disulfonamide IUPAC Name: 5-N-hexyl-5-N-(2-piperidin-1-ylpropyl)isoquinoline-1,5-disulfonamide Traditional Name: N'-hexyl-N'-(2-piperidinopropyl)isoquinoline-1,5-disulfonamide Formula: C23H36N4O4S2 MolecularWeight: 496.68634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CC(C)N1CCCCC1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3S(=O)(=O)N

Isomeric SMILES

CCCCCCN(CC(C)N1CCCCC1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3S(=O)(=O)N

InChI

InChI=1S/C23H36N4O4S2/c1-3-4-5-9-17-27(18-19(2)26-15-7-6-8-16-26)33(30,31)22-12-10-11-21-20(22)13-14-25-23(21)32(24,28)29/h10-14,19H,3-9,15-18H2,1-2H3,(H2,24,28,29)