ethyl 2-methyl-5-[(3-nitrophenyl)carbonyl-(2,4,5-trimethylphenyl)sulfonyl-amino]-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-[(3-nitrophenyl)carbonyl-(2,4,5-trimethylphenyl)sulfonyl-amino]-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-methyl-5-[(3-nitrobenzoyl)-(2,4,5-trimethylphenyl)sulfonyl-amino]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[[(3-nitrophenyl)-oxomethyl]-(2,4,5-trimethylphenyl)sulfonylamino]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-[(3-nitrobenzoyl)-(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-5-[(3-nitrobenzoyl)-(2,4,5-trimethylphenyl)sulfonyl-amino]benzofuran-3-carboxylic acid ethyl ester Formula: C28H26N2O8S MolecularWeight: 550.57964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=C(C=C(C(=C4)C)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=C(C=C(C(=C4)C)C)C)C

InChI

InChI=1S/C28H26N2O8S/c1-6-37-28(32)26-19(5)38-24-11-10-21(15-23(24)26)29(27(31)20-8-7-9-22(14-20)30(33)34)39(35,36)25-13-17(3)16(2)12-18(25)4/h7-15H,6H2,1-5H3