4-(3-chloranyl-2-cyano-phenoxy)-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide

Systemtic Name: 4-(3-chloranyl-2-cyano-phenoxy)-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide Openeye Name: 4-(3-chloro-2-cyano-phenoxy)-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide CAS Name: 4-(3-chloro-2-cyanophenoxy)-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide IUPAC Name: 4-(3-chloro-2-cyanophenoxy)-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide Traditional Name: 4-(3-chloro-2-cyano-phenoxy)-N-(2,5-dimethoxybenzyl)benzenesulfonamide Formula: C22H19ClN2O5S MolecularWeight: 458.91466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CNS(=O)(=O)C2=CC=C(C=C2)OC3=C(C(=CC=C3)Cl)C#N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CNS(=O)(=O)C2=CC=C(C=C2)OC3=C(C(=CC=C3)Cl)C#N

InChI

InChI=1S/C22H19ClN2O5S/c1-28-17-8-11-21(29-2)15(12-17)14-25-31(26,27)18-9-6-16(7-10-18)30-22-5-3-4-20(23)19(22)13-24/h3-12,25H,14H2,1-2H3