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

Systemtic Name: 2-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide Openeye Name: 2-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide CAS Name: 2-[[4-(2-cyanophenyl)phenyl]methylthio]-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide IUPAC Name: 2-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide Traditional Name: 2-[[4-(2-cyanophenyl)benzyl]thio]-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide Formula: C23H19N3O3S2 MolecularWeight: 449.54526

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C23H19N3O3S2/c1-26(2)31(27,28)19-11-12-22-21(13-19)25-23(29-22)30-15-16-7-9-17(10-8-16)20-6-4-3-5-18(20)14-24/h3-13H,15H2,1-2H3