N-(3-ethanoyl-2-methyl-1-benzofuran-5-yl)-N-(4-methyl-3-nitro-phenyl)sulfonyl-3-nitro-benzamide

Systemtic Name: N-(3-ethanoyl-2-methyl-1-benzofuran-5-yl)-N-(4-methyl-3-nitro-phenyl)sulfonyl-3-nitro-benzamide Openeye Name: N-(3-acetyl-2-methyl-benzofuran-5-yl)-N-(4-methyl-3-nitro-phenyl)sulfonyl-3-nitro-benzamide CAS Name: N-(3-acetyl-2-methyl-5-benzofuranyl)-N-(4-methyl-3-nitrophenyl)sulfonyl-3-nitrobenzamide IUPAC Name: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-methyl-3-nitrophenyl)sulfonyl-3-nitrobenzamide Traditional Name: N-(3-acetyl-2-methyl-benzofuran-5-yl)-N-(4-methyl-3-nitro-phenyl)sulfonyl-3-nitro-benzamide Formula: C25H19N3O9S MolecularWeight: 537.49806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C2=CC3=C(C=C2)OC(=C3C(=O)C)C)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C2=CC3=C(C=C2)OC(=C3C(=O)C)C)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H19N3O9S/c1-14-7-9-20(13-22(14)28(33)34)38(35,36)26(25(30)17-5-4-6-19(11-17)27(31)32)18-8-10-23-21(12-18)24(15(2)29)16(3)37-23/h4-13H,1-3H3