N-(2-cyanoethyl)-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]thio]-N-phenyl-acetamide Formula: C25H22N4O5S2 MolecularWeight: 522.59598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC(=O)N(CCC#N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC(=O)N(CCC#N)C4=CC=CC=C4

InChI

InChI=1S/C25H22N4O5S2/c1-33-22-11-6-5-10-20(22)28-36(31,32)19-12-13-23-21(16-19)27-25(34-23)35-17-24(30)29(15-7-14-26)18-8-3-2-4-9-18/h2-6,8-13,16,28H,7,15,17H2,1H3