methyl 5-[cyclohexylcarbonyl-(4-propan-2-ylphenyl)sulfonyl-amino]-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: methyl 5-[cyclohexylcarbonyl-(4-propan-2-ylphenyl)sulfonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: methyl 5-[cyclohexanecarbonyl-(4-isopropylphenyl)sulfonyl-amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[[cyclohexyl(oxo)methyl]-(4-propan-2-ylphenyl)sulfonylamino]-2-methyl-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-[cyclohexanecarbonyl-(4-propan-2-ylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[cyclohexanecarbonyl(p-cumenylsulfonyl)amino]-2-methyl-benzofuran-3-carboxylic acid methyl ester Formula: C27H31NO6S MolecularWeight: 497.60314

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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=CC=C(C=C4)C(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)C3CCCCC3)S(=O)(=O)C4=CC=C(C=C4)C(C)C)C(=O)OC

InChI

InChI=1S/C27H31NO6S/c1-17(2)19-10-13-22(14-11-19)35(31,32)28(26(29)20-8-6-5-7-9-20)21-12-15-24-23(16-21)25(18(3)34-24)27(30)33-4/h10-17,20H,5-9H2,1-4H3