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

Systemtic Name: ethyl 2-methyl-5-[(4-methyl-3-nitro-phenyl)sulfonyl-pyridin-4-ylcarbonyl-amino]-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-methyl-5-[(4-methyl-3-nitro-phenyl)sulfonyl-(pyridine-4-carbonyl)amino]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(4-methyl-3-nitrophenyl)sulfonyl-[oxo(pyridin-4-yl)methyl]amino]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-[(4-methyl-3-nitrophenyl)sulfonyl-(pyridine-4-carbonyl)amino]-1-benzofuran-3-carboxylate Traditional Name: 5-[isonicotinoyl-(4-methyl-3-nitro-phenyl)sulfonyl-amino]-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C25H21N3O8S MolecularWeight: 523.51454

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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)C)[N+](=O)[O-])C

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)C)[N+](=O)[O-])C

InChI

InChI=1S/C25H21N3O8S/c1-4-35-25(30)23-16(3)36-22-8-6-18(13-20(22)23)27(24(29)17-9-11-26-12-10-17)37(33,34)19-7-5-15(2)21(14-19)28(31)32/h5-14H,4H2,1-3H3