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

Systemtic Name: ethyl 5-[cyclohexylcarbonyl-(3-nitrophenyl)sulfonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[cyclohexanecarbonyl-(3-nitrophenyl)sulfonyl-amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[[cyclohexyl(oxo)methyl]-(3-nitrophenyl)sulfonylamino]-2-methyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[cyclohexanecarbonyl-(3-nitrophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[cyclohexanecarbonyl-(3-nitrophenyl)sulfonyl-amino]-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C25H26N2O8S MolecularWeight: 514.54754

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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-])C

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-])C

InChI

InChI=1S/C25H26N2O8S/c1-3-34-25(29)23-16(2)35-22-13-12-18(15-21(22)23)26(24(28)17-8-5-4-6-9-17)36(32,33)20-11-7-10-19(14-20)27(30)31/h7,10-15,17H,3-6,8-9H2,1-2H3