methyl 5-[butanoyl-(2,4-dimethylphenyl)sulfonyl-amino]-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: methyl 5-[butanoyl-(2,4-dimethylphenyl)sulfonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: methyl 5-[butanoyl-(2,4-dimethylphenyl)sulfonyl-amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(2,4-dimethylphenyl)sulfonyl-(1-oxobutyl)amino]-2-methyl-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-[butanoyl-(2,4-dimethylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[butyryl-(2,4-dimethylphenyl)sulfonyl-amino]-2-methyl-benzofuran-3-carboxylic acid methyl ester Formula: C23H25NO6S MolecularWeight: 443.5127

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(C1=CC2=C(C=C1)OC(=C2C(=O)OC)C)S(=O)(=O)C3=C(C=C(C=C3)C)C

Isomeric SMILES

CCCC(=O)N(C1=CC2=C(C=C1)OC(=C2C(=O)OC)C)S(=O)(=O)C3=C(C=C(C=C3)C)C

InChI

InChI=1S/C23H25NO6S/c1-6-7-21(25)24(31(27,28)20-11-8-14(2)12-15(20)3)17-9-10-19-18(13-17)22(16(4)30-19)23(26)29-5/h8-13H,6-7H2,1-5H3