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

Systemtic Name: methyl 5-[butanoyl-(4-fluoranyl-2-methyl-phenyl)sulfonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: methyl 5-[butanoyl-(4-fluoro-2-methyl-phenyl)sulfonyl-amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(4-fluoro-2-methylphenyl)sulfonyl-(1-oxobutyl)amino]-2-methyl-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-[butanoyl-(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[butyryl-(4-fluoro-2-methyl-phenyl)sulfonyl-amino]-2-methyl-benzofuran-3-carboxylic acid methyl ester Formula: C22H22FNO6S MolecularWeight: 447.476583

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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)F)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)F)C

InChI

InChI=1S/C22H22FNO6S/c1-5-6-20(25)24(31(27,28)19-10-7-15(23)11-13(19)2)16-8-9-18-17(12-16)21(14(3)30-18)22(26)29-4/h7-12H,5-6H2,1-4H3