methyl 5-[cyclohexylcarbonyl(thiophen-2-ylsulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: methyl 5-[cyclohexylcarbonyl(thiophen-2-ylsulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: methyl 5-[cyclohexanecarbonyl(2-thienylsulfonyl)amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[[cyclohexyl(oxo)methyl]-thiophen-2-ylsulfonylamino]-2-methyl-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-[cyclohexanecarbonyl(thiophen-2-ylsulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[cyclohexanecarbonyl(2-thienylsulfonyl)amino]-2-methyl-benzofuran-3-carboxylic acid methyl ester Formula: C22H23NO6S2 MolecularWeight: 461.55112

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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=CS4)C(=O)OC

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)C3CCCCC3)S(=O)(=O)C4=CC=CS4)C(=O)OC

InChI

InChI=1S/C22H23NO6S2/c1-14-20(22(25)28-2)17-13-16(10-11-18(17)29-14)23(21(24)15-7-4-3-5-8-15)31(26,27)19-9-6-12-30-19/h6,9-13,15H,3-5,7-8H2,1-2H3