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

Systemtic Name: (3-butoxycarbonyl-2-methyl-1-benzofuran-5-yl)-(4-methoxy-3-nitro-phenyl)sulfonyl-azanide Openeye Name: (3-butoxycarbonyl-2-methyl-benzofuran-5-yl)-(4-methoxy-3-nitro-phenyl)sulfonyl-azanide CAS Name: [3-[butoxy(oxo)methyl]-2-methyl-5-benzofuranyl]-(4-methoxy-3-nitrophenyl)sulfonylazanide IUPAC Name: (3-butoxycarbonyl-2-methyl-1-benzofuran-5-yl)-(4-methoxy-3-nitrophenyl)sulfonylazanide Traditional Name: (3-butoxycarbonyl-2-methyl-benzofuran-5-yl)-(4-methoxy-3-nitro-phenyl)sulfonyl-azanide Formula: C21H21N2O8S- MolecularWeight: 461.46504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCOC(=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/C21H21N2O8S/c1-4-5-10-30-21(24)20-13(2)31-18-8-6-14(11-16(18)20)22-32(27,28)15-7-9-19(29-3)17(12-15)23(25)26/h6-9,11-12H,4-5,10H2,1-3H3/q-1