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

Systemtic Name: N-(3-ethanoyl-2-methyl-1-benzofuran-5-yl)-N-(4-ethylphenyl)sulfonyl-3-nitro-benzamide Openeye Name: N-(3-acetyl-2-methyl-benzofuran-5-yl)-N-(4-ethylphenyl)sulfonyl-3-nitro-benzamide CAS Name: N-(3-acetyl-2-methyl-5-benzofuranyl)-N-(4-ethylphenyl)sulfonyl-3-nitrobenzamide IUPAC Name: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-ethylphenyl)sulfonyl-3-nitrobenzamide Traditional Name: N-(3-acetyl-2-methyl-benzofuran-5-yl)-N-(4-ethylphenyl)sulfonyl-3-nitro-benzamide Formula: C26H22N2O7S MolecularWeight: 506.52708

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=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-]

Isomeric SMILES

CCC1=CC=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-]

InChI

InChI=1S/C26H22N2O7S/c1-4-18-8-11-22(12-9-18)36(33,34)27(26(30)19-6-5-7-21(14-19)28(31)32)20-10-13-24-23(15-20)25(16(2)29)17(3)35-24/h5-15H,4H2,1-3H3