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

Systemtic Name: N4-(2-cyanoethyl)-N1-cyclohexyl-N4-(3-ethoxypropyl)benzene-1,4-disulfonamide Openeye Name: N4-(2-cyanoethyl)-N1-cyclohexyl-N4-(3-ethoxypropyl)benzene-1,4-disulfonamide CAS Name: N4-(2-cyanoethyl)-N1-cyclohexyl-N4-(3-ethoxypropyl)benzene-1,4-disulfonamide IUPAC Name: 4-N-(2-cyanoethyl)-1-N-cyclohexyl-4-N-(3-ethoxypropyl)benzene-1,4-disulfonamide Traditional Name: N'-(2-cyanoethyl)-N-cyclohexyl-N'-(3-ethoxypropyl)benzene-1,4-disulfonamide Formula: C20H31N3O5S2 MolecularWeight: 457.60724

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN(CCC#N)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2CCCCC2

Isomeric SMILES

CCOCCCN(CCC#N)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2CCCCC2

InChI

InChI=1S/C20H31N3O5S2/c1-2-28-17-7-16-23(15-6-14-21)30(26,27)20-12-10-19(11-13-20)29(24,25)22-18-8-4-3-5-9-18/h10-13,18,22H,2-9,15-17H2,1H3