N4-(2-cyanoethyl)-N1,N1-dimethyl-N4-(pyridin-3-ylmethyl)benzene-1,4-disulfonamide

Systemtic Name: N4-(2-cyanoethyl)-N1,N1-dimethyl-N4-(pyridin-3-ylmethyl)benzene-1,4-disulfonamide Openeye Name: N4-(2-cyanoethyl)-N1,N1-dimethyl-N4-(3-pyridylmethyl)benzene-1,4-disulfonamide CAS Name: N4-(2-cyanoethyl)-N1,N1-dimethyl-N4-(3-pyridinylmethyl)benzene-1,4-disulfonamide IUPAC Name: 4-N-(2-cyanoethyl)-1-N,1-N-dimethyl-4-N-(pyridin-3-ylmethyl)benzene-1,4-disulfonamide Traditional Name: N'-(2-cyanoethyl)-N,N-dimethyl-N'-(3-pyridylmethyl)benzene-1,4-disulfonamide Formula: C17H20N4O4S2 MolecularWeight: 408.4951

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N(CCC#N)CC2=CN=CC=C2

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N(CCC#N)CC2=CN=CC=C2

InChI

InChI=1S/C17H20N4O4S2/c1-20(2)26(22,23)16-6-8-17(9-7-16)27(24,25)21(12-4-10-18)14-15-5-3-11-19-13-15/h3,5-9,11,13H,4,12,14H2,1-2H3