(3-ethoxycarbonyl-2-propyl-1-benzofuran-5-yl)-(4-methoxy-3-nitro-phenyl)sulfonyl-azanide

Systemtic Name: (3-ethoxycarbonyl-2-propyl-1-benzofuran-5-yl)-(4-methoxy-3-nitro-phenyl)sulfonyl-azanide Openeye Name: (3-ethoxycarbonyl-2-propyl-benzofuran-5-yl)-(4-methoxy-3-nitro-phenyl)sulfonyl-azanide CAS Name: (3-ethoxycarbonyl-2-propyl-5-benzofuranyl)-(4-methoxy-3-nitrophenyl)sulfonylazanide IUPAC Name: (3-ethoxycarbonyl-2-propyl-1-benzofuran-5-yl)-(4-methoxy-3-nitrophenyl)sulfonylazanide Traditional Name: (3-carbethoxy-2-propyl-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:

CCCC1=C(C2=C(O1)C=CC(=C2)[N-]S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCC1=C(C2=C(O1)C=CC(=C2)[N-]S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C21H21N2O8S/c1-4-6-19-20(21(24)30-5-2)15-11-13(7-9-17(15)31-19)22-32(27,28)14-8-10-18(29-3)16(12-14)23(25)26/h7-12H,4-6H2,1-3H3/q-1