N5-ethyl-N5-[2-(ethylamino)ethyl]isoquinoline-1,5-disulfonamide

Systemtic Name: N5-ethyl-N5-[2-(ethylamino)ethyl]isoquinoline-1,5-disulfonamide Openeye Name: N5-ethyl-N5-[2-(ethylamino)ethyl]isoquinoline-1,5-disulfonamide CAS Name: N5-ethyl-N5-[2-(ethylamino)ethyl]isoquinoline-1,5-disulfonamide IUPAC Name: 5-N-ethyl-5-N-[2-(ethylamino)ethyl]isoquinoline-1,5-disulfonamide Traditional Name: N'-ethyl-N'-[2-(ethylamino)ethyl]isoquinoline-1,5-disulfonamide Formula: C15H22N4O4S2 MolecularWeight: 386.48958

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Descriptors Computed from Structure

Canonical SMILES:

CCNCCN(CC)S(=O)(=O)C1=CC=CC2=C1C=CN=C2S(=O)(=O)N

Isomeric SMILES

CCNCCN(CC)S(=O)(=O)C1=CC=CC2=C1C=CN=C2S(=O)(=O)N

InChI

InChI=1S/C15H22N4O4S2/c1-3-17-10-11-19(4-2)25(22,23)14-7-5-6-13-12(14)8-9-18-15(13)24(16,20)21/h5-9,17H,3-4,10-11H2,1-2H3,(H2,16,20,21)