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

Systemtic Name: N4-(2-cyanoethyl)-N1-cyclohexyl-N4-(pyridin-3-ylmethyl)benzene-1,4-disulfonamide Openeye Name: N4-(2-cyanoethyl)-N1-cyclohexyl-N4-(3-pyridylmethyl)benzene-1,4-disulfonamide CAS Name: N4-(2-cyanoethyl)-N1-cyclohexyl-N4-(3-pyridinylmethyl)benzene-1,4-disulfonamide IUPAC Name: 4-N-(2-cyanoethyl)-1-N-cyclohexyl-4-N-(pyridin-3-ylmethyl)benzene-1,4-disulfonamide Traditional Name: N'-(2-cyanoethyl)-N-cyclohexyl-N'-(3-pyridylmethyl)benzene-1,4-disulfonamide Formula: C21H26N4O4S2 MolecularWeight: 462.58554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CCC#N)CC3=CN=CC=C3

Isomeric SMILES

C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CCC#N)CC3=CN=CC=C3

InChI

InChI=1S/C21H26N4O4S2/c22-13-5-15-25(17-18-6-4-14-23-16-18)31(28,29)21-11-9-20(10-12-21)30(26,27)24-19-7-2-1-3-8-19/h4,6,9-12,14,16,19,24H,1-3,5,7-8,15,17H2