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

Systemtic Name: ethyl 5-[cyclohexylcarbonyl-(3-nitrophenyl)sulfonyl-amino]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[cyclohexanecarbonyl-(3-nitrophenyl)sulfonyl-amino]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[[cyclohexyl(oxo)methyl]-(3-nitrophenyl)sulfonylamino]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[cyclohexanecarbonyl-(3-nitrophenyl)sulfonylamino]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[cyclohexanecarbonyl-(3-nitrophenyl)sulfonyl-amino]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C30H28N2O8S MolecularWeight: 576.61692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3CCCCC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3CCCCC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C30H28N2O8S/c1-2-39-30(34)27-25-19-22(16-17-26(25)40-28(27)20-10-5-3-6-11-20)31(29(33)21-12-7-4-8-13-21)41(37,38)24-15-9-14-23(18-24)32(35)36/h3,5-6,9-11,14-19,21H,2,4,7-8,12-13H2,1H3