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

Systemtic Name: ethyl 5-[(4-chloranyl-3-nitro-phenyl)sulfonyl-ethanoyl-amino]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[acetyl-(4-chloro-3-nitro-phenyl)sulfonyl-amino]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[acetyl-(4-chloro-3-nitrophenyl)sulfonylamino]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[acetyl-(4-chloro-3-nitrophenyl)sulfonylamino]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[acetyl-(4-chloro-3-nitro-phenyl)sulfonyl-amino]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C25H19ClN2O8S MolecularWeight: 542.94496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19ClN2O8S/c1-3-35-25(30)23-19-13-17(9-12-22(19)36-24(23)16-7-5-4-6-8-16)27(15(2)29)37(33,34)18-10-11-20(26)21(14-18)28(31)32/h4-14H,3H2,1-2H3