N-(2-cyanoethyl)-N-(4-phenylmethoxyphenyl)-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-(2-cyanoethyl)-N-(4-phenylmethoxyphenyl)-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-(4-benzyloxyphenyl)-N-(2-cyanoethyl)-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-(2-cyanoethyl)-N-(4-phenylmethoxyphenyl)-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-(2-cyanoethyl)-N-(4-phenylmethoxyphenyl)-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-(4-benzoxyphenyl)-N-(2-cyanoethyl)piazthiole-4-sulfonamide Formula: C22H18N4O3S2 MolecularWeight: 450.53332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)N(CCC#N)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)N(CCC#N)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C22H18N4O3S2/c23-14-5-15-26(31(27,28)21-9-4-8-20-22(21)25-30-24-20)18-10-12-19(13-11-18)29-16-17-6-2-1-3-7-17/h1-4,6-13H,5,15-16H2