methyl 5-[(2,5-dimethylphenyl)sulfonyl-ethanoyl-amino]-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: methyl 5-[(2,5-dimethylphenyl)sulfonyl-ethanoyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: methyl 5-[acetyl-(2,5-dimethylphenyl)sulfonyl-amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[acetyl-(2,5-dimethylphenyl)sulfonylamino]-2-methyl-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-[acetyl-(2,5-dimethylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[acetyl-(2,5-dimethylphenyl)sulfonyl-amino]-2-methyl-benzofuran-3-carboxylic acid methyl ester Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N(C2=CC3=C(C=C2)OC(=C3C(=O)OC)C)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N(C2=CC3=C(C=C2)OC(=C3C(=O)OC)C)C(=O)C

InChI

InChI=1S/C21H21NO6S/c1-12-6-7-13(2)19(10-12)29(25,26)22(15(4)23)16-8-9-18-17(11-16)20(14(3)28-18)21(24)27-5/h6-11H,1-5H3