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

Systemtic Name: N-(2-methoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzoxazole-5-sulfonamide Openeye Name: N-(2-methoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzoxazole-5-sulfonamide CAS Name: N-(2-methoxyphenyl)-2-[(4-nitrophenyl)methylthio]-1,3-benzoxazole-5-sulfonamide IUPAC Name: N-(2-methoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzoxazole-5-sulfonamide Traditional Name: N-(2-methoxyphenyl)-2-[(4-nitrobenzyl)thio]-1,3-benzoxazole-5-sulfonamide Formula: C21H17N3O6S2 MolecularWeight: 471.50618

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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)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O6S2/c1-29-19-5-3-2-4-17(19)23-32(27,28)16-10-11-20-18(12-16)22-21(30-20)31-13-14-6-8-15(9-7-14)24(25)26/h2-12,23H,13H2,1H3