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

Systemtic Name: ethyl 5-[(4-chloranyl-3-methyl-phenyl)sulfonyl-cyclohexylcarbonyl-amino]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(4-chloro-3-methyl-phenyl)sulfonyl-(cyclohexanecarbonyl)amino]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[(4-chloro-3-methylphenyl)sulfonyl-[cyclohexyl(oxo)methyl]amino]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-chloro-3-methylphenyl)sulfonyl-(cyclohexanecarbonyl)amino]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(4-chloro-3-methyl-phenyl)sulfonyl-(cyclohexanecarbonyl)amino]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C31H30ClNO6S MolecularWeight: 580.091

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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)C5=CC=CC=C5

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)C5=CC=CC=C5

InChI

InChI=1S/C31H30ClNO6S/c1-3-38-31(35)28-25-19-23(14-17-27(25)39-29(28)21-10-6-4-7-11-21)33(30(34)22-12-8-5-9-13-22)40(36,37)24-15-16-26(32)20(2)18-24/h4,6-7,10-11,14-19,22H,3,5,8-9,12-13H2,1-2H3