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N5-hexyl-N5-(2-morpholin-4-ylethyl)isoquinoline-1,5-disulfonamide

N5-hexyl-N5-(2-morpholin-4-ylethyl)isoquinoline-1,5-disulfonamide

Systemtic Name:N5-hexyl-N5-(2-morpholin-4-ylethyl)isoquinoline-1,5-disulfonamide
Openeye Name:N5-hexyl-N5-(2-morpholinoethyl)isoquinoline-1,5-disulfonamide
CAS Name:N5-hexyl-N5-[2-(4-morpholinyl)ethyl]isoquinoline-1,5-disulfonamide
IUPAC Name:5-N-hexyl-5-N-(2-morpholin-4-ylethyl)isoquinoline-1,5-disulfonamide
Traditional Name:N'-hexyl-N'-(2-morpholinoethyl)isoquinoline-1,5-disulfonamide
Formula: C21H32N4O5S2
MolecularWeight: 484.63258
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCN1CCOCC1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3S(=O)(=O)N


Isomeric SMILES

CCCCCCN(CCN1CCOCC1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3S(=O)(=O)N


InChI

InChI=1S/C21H32N4O5S2/c1-2-3-4-5-11-25(13-12-24-14-16-30-17-15-24)32(28,29)20-8-6-7-19-18(20)9-10-23-21(19)31(22,26)27/h6-10H,2-5,11-17H2,1H3,(H2,22,26,27)


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