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

Systemtic Name: (3-butoxycarbonyl-2-methyl-1-benzofuran-5-yl)-(2-chloranyl-5-nitro-phenyl)sulfonyl-azanide Openeye Name: (3-butoxycarbonyl-2-methyl-benzofuran-5-yl)-(2-chloro-5-nitro-phenyl)sulfonyl-azanide CAS Name: [3-[butoxy(oxo)methyl]-2-methyl-5-benzofuranyl]-(2-chloro-5-nitrophenyl)sulfonylazanide IUPAC Name: (3-butoxycarbonyl-2-methyl-1-benzofuran-5-yl)-(2-chloro-5-nitrophenyl)sulfonylazanide Traditional Name: (3-butoxycarbonyl-2-methyl-benzofuran-5-yl)-(2-chloro-5-nitro-phenyl)sulfonyl-azanide Formula: C20H18ClN2O7S- MolecularWeight: 465.88412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN2O7S/c1-3-4-9-29-20(24)19-12(2)30-17-8-5-13(10-15(17)19)22-31(27,28)18-11-14(23(25)26)6-7-16(18)21/h5-8,10-11H,3-4,9H2,1-2H3/q-1