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

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

Systemtic Name:N5-hexyl-N5-(2-piperidin-1-ylethyl)isoquinoline-1,5-disulfonamide
Openeye Name:N5-hexyl-N5-[2-(1-piperidyl)ethyl]isoquinoline-1,5-disulfonamide
CAS Name:N5-hexyl-N5-[2-(1-piperidinyl)ethyl]isoquinoline-1,5-disulfonamide
IUPAC Name:5-N-hexyl-5-N-(2-piperidin-1-ylethyl)isoquinoline-1,5-disulfonamide
Traditional Name:N'-hexyl-N'-(2-piperidinoethyl)isoquinoline-1,5-disulfonamide
Formula: C22H34N4O4S2
MolecularWeight: 482.65976
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCN1CCCCC1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3S(=O)(=O)N


Isomeric SMILES

CCCCCCN(CCN1CCCCC1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3S(=O)(=O)N


InChI

InChI=1S/C22H34N4O4S2/c1-2-3-4-8-16-26(18-17-25-14-6-5-7-15-25)32(29,30)21-11-9-10-20-19(21)12-13-24-22(20)31(23,27)28/h9-13H,2-8,14-18H2,1H3,(H2,23,27,28)


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