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

Systemtic Name: N-(3-ethanoyl-2-methyl-1-benzofuran-5-yl)-N-(3-nitrophenyl)sulfonyl-butanamide Openeye Name: N-(3-acetyl-2-methyl-benzofuran-5-yl)-N-(3-nitrophenyl)sulfonyl-butanamide CAS Name: N-(3-acetyl-2-methyl-5-benzofuranyl)-N-(3-nitrophenyl)sulfonylbutanamide IUPAC Name: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(3-nitrophenyl)sulfonylbutanamide Traditional Name: N-(3-acetyl-2-methyl-benzofuran-5-yl)-N-(3-nitrophenyl)sulfonyl-butyramide Formula: C21H20N2O7S MolecularWeight: 444.4577

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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=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O7S/c1-4-6-20(25)22(31(28,29)17-8-5-7-16(11-17)23(26)27)15-9-10-19-18(12-15)21(13(2)24)14(3)30-19/h5,7-12H,4,6H2,1-3H3