N-(3-ethanoyl-2-methyl-1-benzofuran-5-yl)-N-(2-methyl-5-nitro-phenyl)sulfonyl-butanamide

Systemtic Name: N-(3-ethanoyl-2-methyl-1-benzofuran-5-yl)-N-(2-methyl-5-nitro-phenyl)sulfonyl-butanamide Openeye Name: N-(3-acetyl-2-methyl-benzofuran-5-yl)-N-(2-methyl-5-nitro-phenyl)sulfonyl-butanamide CAS Name: N-(3-acetyl-2-methyl-5-benzofuranyl)-N-(2-methyl-5-nitrophenyl)sulfonylbutanamide IUPAC Name: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(2-methyl-5-nitrophenyl)sulfonylbutanamide Traditional Name: N-(3-acetyl-2-methyl-benzofuran-5-yl)-N-(2-methyl-5-nitro-phenyl)sulfonyl-butyramide Formula: C22H22N2O7S MolecularWeight: 458.48428

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(C1=CC2=C(C=C1)OC(=C2C(=O)C)C)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCC(=O)N(C1=CC2=C(C=C1)OC(=C2C(=O)C)C)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H22N2O7S/c1-5-6-21(26)23(32(29,30)20-12-17(24(27)28)8-7-13(20)2)16-9-10-19-18(11-16)22(14(3)25)15(4)31-19/h7-12H,5-6H2,1-4H3