methyl 5-[(2-chloranyl-5-nitro-phenyl)sulfonyl-cyclohexylcarbonyl-amino]-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: methyl 5-[(2-chloranyl-5-nitro-phenyl)sulfonyl-cyclohexylcarbonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: methyl 5-[(2-chloro-5-nitro-phenyl)sulfonyl-(cyclohexanecarbonyl)amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(2-chloro-5-nitrophenyl)sulfonyl-[cyclohexyl(oxo)methyl]amino]-2-methyl-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-[(2-chloro-5-nitrophenyl)sulfonyl-(cyclohexanecarbonyl)amino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(2-chloro-5-nitro-phenyl)sulfonyl-(cyclohexanecarbonyl)amino]-2-methyl-benzofuran-3-carboxylic acid methyl ester Formula: C24H23ClN2O8S MolecularWeight: 534.96602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)C3CCCCC3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)C(=O)OC

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)C3CCCCC3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)C(=O)OC

InChI

InChI=1S/C24H23ClN2O8S/c1-14-22(24(29)34-2)18-12-16(9-11-20(18)35-14)26(23(28)15-6-4-3-5-7-15)36(32,33)21-13-17(27(30)31)8-10-19(21)25/h8-13,15H,3-7H2,1-2H3