(2-tert-butyl-3-methoxycarbonyl-1-benzofuran-5-yl)-(4-methoxy-3-nitro-phenyl)sulfonyl-azanide

Systemtic Name: (2-tert-butyl-3-methoxycarbonyl-1-benzofuran-5-yl)-(4-methoxy-3-nitro-phenyl)sulfonyl-azanide Openeye Name: (2-tert-butyl-3-methoxycarbonyl-benzofuran-5-yl)-(4-methoxy-3-nitro-phenyl)sulfonyl-azanide CAS Name: (2-tert-butyl-3-methoxycarbonyl-5-benzofuranyl)-(4-methoxy-3-nitrophenyl)sulfonylazanide IUPAC Name: (2-tert-butyl-3-methoxycarbonyl-1-benzofuran-5-yl)-(4-methoxy-3-nitrophenyl)sulfonylazanide Traditional Name: (2-tert-butyl-3-carbomethoxy-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:

CC(C)(C)C1=C(C2=C(O1)C=CC(=C2)[N-]S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)(C)C1=C(C2=C(O1)C=CC(=C2)[N-]S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-])C(=O)OC

InChI

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