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

Systemtic Name: N-(4-methoxyphenyl)-2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzoxazole-5-sulfonamide Openeye Name: N-(4-methoxyphenyl)-2-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-1,3-benzoxazole-5-sulfonamide CAS Name: N-(4-methoxyphenyl)-2-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-1,3-benzoxazole-5-sulfonamide IUPAC Name: N-(4-methoxyphenyl)-2-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-1,3-benzoxazole-5-sulfonamide Traditional Name: 2-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide Formula: C22H17N3O7S2 MolecularWeight: 499.51628

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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)SCC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O7S2/c1-31-17-7-5-15(6-8-17)24-34(29,30)18-9-10-21-19(12-18)23-22(32-21)33-13-20(26)14-3-2-4-16(11-14)25(27)28/h2-12,24H,13H2,1H3