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

Systemtic Name: N4-(2-cyanoethyl)-N1-cyclohexyl-N4-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide Openeye Name: N4-(2-cyanoethyl)-N1-cyclohexyl-N4-(tetrahydrofuran-2-ylmethyl)benzene-1,4-disulfonamide CAS Name: N4-(2-cyanoethyl)-N1-cyclohexyl-N4-(2-oxolanylmethyl)benzene-1,4-disulfonamide IUPAC Name: 4-N-(2-cyanoethyl)-1-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide Traditional Name: N'-(2-cyanoethyl)-N-cyclohexyl-N'-(tetrahydrofurfuryl)benzene-1,4-disulfonamide Formula: C20H29N3O5S2 MolecularWeight: 455.59136

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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)CC3CCCO3

Isomeric SMILES

C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CCC#N)CC3CCCO3

InChI

InChI=1S/C20H29N3O5S2/c21-13-5-14-23(16-18-8-4-15-28-18)30(26,27)20-11-9-19(10-12-20)29(24,25)22-17-6-2-1-3-7-17/h9-12,17-18,22H,1-8,14-16H2