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

Systemtic Name: ethyl 5-[(4-bromophenyl)sulfonyl-pyridin-4-ylcarbonyl-amino]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(4-bromophenyl)sulfonyl-(pyridine-4-carbonyl)amino]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[(4-bromophenyl)sulfonyl-[oxo(pyridin-4-yl)methyl]amino]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-bromophenyl)sulfonyl-(pyridine-4-carbonyl)amino]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[brosyl(isonicotinoyl)amino]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C29H21BrN2O6S MolecularWeight: 605.45584

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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)Br)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)Br)C5=CC=CC=C5

InChI

InChI=1S/C29H21BrN2O6S/c1-2-37-29(34)26-24-18-22(10-13-25(24)38-27(26)19-6-4-3-5-7-19)32(28(33)20-14-16-31-17-15-20)39(35,36)23-11-8-21(30)9-12-23/h3-18H,2H2,1H3