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

Systemtic Name: ethyl 5-[(4-tert-butylphenyl)sulfonyl-cyclohexylcarbonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(4-tert-butylphenyl)sulfonyl-(cyclohexanecarbonyl)amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(4-tert-butylphenyl)sulfonyl-[cyclohexyl(oxo)methyl]amino]-2-methyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-tert-butylphenyl)sulfonyl-(cyclohexanecarbonyl)amino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(4-tert-butylphenyl)sulfonyl-(cyclohexanecarbonyl)amino]-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C29H35NO6S MolecularWeight: 525.6563

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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)C(C)(C)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)C(C)(C)C)C

InChI

InChI=1S/C29H35NO6S/c1-6-35-28(32)26-19(2)36-25-17-14-22(18-24(25)26)30(27(31)20-10-8-7-9-11-20)37(33,34)23-15-12-21(13-16-23)29(3,4)5/h12-18,20H,6-11H2,1-5H3