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

Systemtic Name: ethyl 5-[(4-chloranyl-3-methyl-phenyl)sulfonyl-cyclohexylcarbonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(4-chloro-3-methyl-phenyl)sulfonyl-(cyclohexanecarbonyl)amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(4-chloro-3-methylphenyl)sulfonyl-[cyclohexyl(oxo)methyl]amino]-2-methyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-chloro-3-methylphenyl)sulfonyl-(cyclohexanecarbonyl)amino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(4-chloro-3-methyl-phenyl)sulfonyl-(cyclohexanecarbonyl)amino]-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C26H28ClNO6S MolecularWeight: 518.02162

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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(=C(C=C4)Cl)C)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3CCCCC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)C)C

InChI

InChI=1S/C26H28ClNO6S/c1-4-33-26(30)24-17(3)34-23-13-10-19(15-21(23)24)28(25(29)18-8-6-5-7-9-18)35(31,32)20-11-12-22(27)16(2)14-20/h10-15,18H,4-9H2,1-3H3