(3-hexoxycarbonyl-2-methyl-1-benzofuran-5-yl)-(4-methoxy-3-nitro-phenyl)sulfonyl-azanide

Systemtic Name: (3-hexoxycarbonyl-2-methyl-1-benzofuran-5-yl)-(4-methoxy-3-nitro-phenyl)sulfonyl-azanide Openeye Name: (3-hexoxycarbonyl-2-methyl-benzofuran-5-yl)-(4-methoxy-3-nitro-phenyl)sulfonyl-azanide CAS Name: [3-[hexoxy(oxo)methyl]-2-methyl-5-benzofuranyl]-(4-methoxy-3-nitrophenyl)sulfonylazanide IUPAC Name: (3-hexoxycarbonyl-2-methyl-1-benzofuran-5-yl)-(4-methoxy-3-nitrophenyl)sulfonylazanide Traditional Name: (3-hexoxycarbonyl-2-methyl-benzofuran-5-yl)-(4-methoxy-3-nitro-phenyl)sulfonyl-azanide Formula: C23H25N2O8S- MolecularWeight: 489.5182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C(OC2=C1C=C(C=C2)[N-]S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-])C

Isomeric SMILES

CCCCCCOC(=O)C1=C(OC2=C1C=C(C=C2)[N-]S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-])C

InChI

InChI=1S/C23H25N2O8S/c1-4-5-6-7-12-32-23(26)22-15(2)33-20-10-8-16(13-18(20)22)24-34(29,30)17-9-11-21(31-3)19(14-17)25(27)28/h8-11,13-14H,4-7,12H2,1-3H3/q-1