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

Systemtic Name: ethyl 5-[(4-chloranyl-3-nitro-phenyl)sulfonyl-pyridin-4-ylcarbonyl-amino]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(4-chloro-3-nitro-phenyl)sulfonyl-(pyridine-4-carbonyl)amino]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[(4-chloro-3-nitrophenyl)sulfonyl-[oxo(pyridin-4-yl)methyl]amino]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-chloro-3-nitrophenyl)sulfonyl-(pyridine-4-carbonyl)amino]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(4-chloro-3-nitro-phenyl)sulfonyl-isonicotinoyl-amino]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C29H20ClN3O8S MolecularWeight: 606.0024

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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(=C(C=C4)Cl)[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(=C(C=C4)Cl)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C29H20ClN3O8S/c1-2-40-29(35)26-22-16-20(8-11-25(22)41-27(26)18-6-4-3-5-7-18)32(28(34)19-12-14-31-15-13-19)42(38,39)21-9-10-23(30)24(17-21)33(36)37/h3-17H,2H2,1H3