N5-(2-diethylaminoethyl)-N5-methyl-isoquinoline-1,5-disulfonamide

Systemtic Name: N5-(2-diethylaminoethyl)-N5-methyl-isoquinoline-1,5-disulfonamide Openeye Name: N5-(2-diethylaminoethyl)-N5-methyl-isoquinoline-1,5-disulfonamide CAS Name: N5-(2-diethylaminoethyl)-N5-methylisoquinoline-1,5-disulfonamide IUPAC Name: 5-N-(2-diethylaminoethyl)-5-N-methylisoquinoline-1,5-disulfonamide Traditional Name: N'-(2-diethylaminoethyl)-N'-methyl-isoquinoline-1,5-disulfonamide Formula: C16H24N4O4S2 MolecularWeight: 400.51616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O4S2/c1-4-20(5-2)12-11-19(3)26(23,24)15-8-6-7-14-13(15)9-10-18-16(14)25(17,21)22/h6-10H,4-5,11-12H2,1-3H3,(H2,17,21,22)