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

Systemtic Name: N-(3-ethanoyl-2-methyl-1-benzofuran-5-yl)-N-(4-ethoxyphenyl)sulfonyl-3-nitro-benzamide Openeye Name: N-(3-acetyl-2-methyl-benzofuran-5-yl)-N-(4-ethoxyphenyl)sulfonyl-3-nitro-benzamide CAS Name: N-(3-acetyl-2-methyl-5-benzofuranyl)-N-(4-ethoxyphenyl)sulfonyl-3-nitrobenzamide IUPAC Name: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-ethoxyphenyl)sulfonyl-3-nitrobenzamide Traditional Name: N-(3-acetyl-2-methyl-benzofuran-5-yl)-3-nitro-N-p-phenetylsulfonyl-benzamide Formula: C26H22N2O8S MolecularWeight: 522.52648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C26H22N2O8S/c1-4-35-21-9-11-22(12-10-21)37(33,34)27(26(30)18-6-5-7-20(14-18)28(31)32)19-8-13-24-23(15-19)25(16(2)29)17(3)36-24/h5-15H,4H2,1-3H3