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

Systemtic Name: ethyl 5-[(4-bromophenyl)sulfonyl-(3-nitrophenyl)carbonyl-amino]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(4-bromophenyl)sulfonyl-(3-nitrobenzoyl)amino]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[(4-bromophenyl)sulfonyl-[(3-nitrophenyl)-oxomethyl]amino]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-bromophenyl)sulfonyl-(3-nitrobenzoyl)amino]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[brosyl-(3-nitrobenzoyl)amino]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C30H21BrN2O8S MolecularWeight: 649.46534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3=CC(=CC=C3)[N+](=O)[O-])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(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C30H21BrN2O8S/c1-2-40-30(35)27-25-18-22(13-16-26(25)41-28(27)19-7-4-3-5-8-19)32(42(38,39)24-14-11-21(31)12-15-24)29(34)20-9-6-10-23(17-20)33(36)37/h3-18H,2H2,1H3