N5-(6-azanyl-5-methyl-hexyl)-N5-ethyl-isoquinoline-1,5-disulfonamide

Systemtic Name: N5-(6-azanyl-5-methyl-hexyl)-N5-ethyl-isoquinoline-1,5-disulfonamide Openeye Name: N5-(6-amino-5-methyl-hexyl)-N5-ethyl-isoquinoline-1,5-disulfonamide CAS Name: N5-(6-amino-5-methylhexyl)-N5-ethylisoquinoline-1,5-disulfonamide IUPAC Name: 5-N-(6-amino-5-methylhexyl)-5-N-ethylisoquinoline-1,5-disulfonamide Traditional Name: N'-(6-amino-5-methyl-hexyl)-N'-ethyl-isoquinoline-1,5-disulfonamide Formula: C18H28N4O4S2 MolecularWeight: 428.56932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O4S2/c1-3-22(12-5-4-7-14(2)13-19)28(25,26)17-9-6-8-16-15(17)10-11-21-18(16)27(20,23)24/h6,8-11,14H,3-5,7,12-13,19H2,1-2H3,(H2,20,23,24)