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

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide CAS Name: 2-[(4-bromophenyl)methylthio]-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide Traditional Name: 2-[(4-bromobenzyl)thio]-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide Formula: C21H17BrN2O4S2 MolecularWeight: 505.40468

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN2O4S2/c1-27-19-5-3-2-4-17(19)24-30(25,26)16-10-11-20-18(12-16)23-21(28-20)29-13-14-6-8-15(22)9-7-14/h2-12,24H,13H2,1H3