ethyl 5-[(3-nitrophenyl)sulfonyl-pyridin-4-ylcarbonyl-amino]-2-phenyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-[(3-nitrophenyl)sulfonyl-pyridin-4-ylcarbonyl-amino]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(3-nitrophenyl)sulfonyl-(pyridine-4-carbonyl)amino]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[(3-nitrophenyl)sulfonyl-[oxo(pyridin-4-yl)methyl]amino]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-nitrophenyl)sulfonyl-(pyridine-4-carbonyl)amino]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[isonicotinoyl-(3-nitrophenyl)sulfonyl-amino]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C29H21N3O8S MolecularWeight: 571.55734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3=CC=NC=C3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3=CC=NC=C3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C29H21N3O8S/c1-2-39-29(34)26-24-18-21(11-12-25(24)40-27(26)19-7-4-3-5-8-19)31(28(33)20-13-15-30-16-14-20)41(37,38)23-10-6-9-22(17-23)32(35)36/h3-18H,2H2,1H3