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

Systemtic Name: N-(4-tert-butylphenyl)sulfonyl-N-(3-ethanoyl-2-methyl-1-benzofuran-5-yl)-3-nitro-benzamide Openeye Name: N-(3-acetyl-2-methyl-benzofuran-5-yl)-N-(4-tert-butylphenyl)sulfonyl-3-nitro-benzamide CAS Name: N-(3-acetyl-2-methyl-5-benzofuranyl)-N-(4-tert-butylphenyl)sulfonyl-3-nitrobenzamide IUPAC Name: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-tert-butylphenyl)sulfonyl-3-nitrobenzamide Traditional Name: N-(3-acetyl-2-methyl-benzofuran-5-yl)-N-(4-tert-butylphenyl)sulfonyl-3-nitro-benzamide Formula: C28H26N2O7S MolecularWeight: 534.58024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)C(=O)C

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)C(=O)C

InChI

InChI=1S/C28H26N2O7S/c1-17(31)26-18(2)37-25-14-11-21(16-24(25)26)29(27(32)19-7-6-8-22(15-19)30(33)34)38(35,36)23-12-9-20(10-13-23)28(3,4)5/h6-16H,1-5H3