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

Systemtic Name: N-(4-methoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzoxazole-5-sulfonamide Openeye Name: N-(4-methoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzoxazole-5-sulfonamide CAS Name: N-(4-methoxyphenyl)-2-[(4-nitrophenyl)methylthio]-1,3-benzoxazole-5-sulfonamide IUPAC Name: N-(4-methoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzoxazole-5-sulfonamide Traditional Name: N-(4-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=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

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