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

Systemtic Name: methyl 5-[(4-chloranyl-3-nitro-phenyl)sulfonyl-pyridin-4-ylcarbonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: methyl 5-[(4-chloro-3-nitro-phenyl)sulfonyl-(pyridine-4-carbonyl)amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(4-chloro-3-nitrophenyl)sulfonyl-[oxo(pyridin-4-yl)methyl]amino]-2-methyl-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-chloro-3-nitrophenyl)sulfonyl-(pyridine-4-carbonyl)amino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(4-chloro-3-nitro-phenyl)sulfonyl-isonicotinoyl-amino]-2-methyl-benzofuran-3-carboxylic acid methyl ester Formula: C23H16ClN3O8S MolecularWeight: 529.90644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H16ClN3O8S/c1-13-21(23(29)34-2)17-11-15(3-6-20(17)35-13)26(22(28)14-7-9-25-10-8-14)36(32,33)16-4-5-18(24)19(12-16)27(30)31/h3-12H,1-2H3