2-[(4-cyanophenyl)methylsulfanyl]-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide

Systemtic Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide Openeye Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide CAS Name: 2-[(4-cyanophenyl)methylthio]-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide IUPAC Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide Traditional Name: 2-[(4-cyanobenzyl)thio]-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide Formula: C22H17N3O4S2 MolecularWeight: 451.51808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H17N3O4S2/c1-28-20-5-3-2-4-18(20)25-31(26,27)17-10-11-21-19(12-17)24-22(29-21)30-14-16-8-6-15(13-23)7-9-16/h2-12,25H,14H2,1H3