methyl 5-[butanoyl(phenylsulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: methyl 5-[butanoyl(phenylsulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: methyl 5-[benzenesulfonyl(butanoyl)amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[benzenesulfonyl(1-oxobutyl)amino]-2-methyl-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-[benzenesulfonyl(butanoyl)amino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[besyl(butyryl)amino]-2-methyl-benzofuran-3-carboxylic acid methyl ester Formula: C21H21NO6S MolecularWeight: 415.45954

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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=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO6S/c1-4-8-19(23)22(29(25,26)16-9-6-5-7-10-16)15-11-12-18-17(13-15)20(14(2)28-18)21(24)27-3/h5-7,9-13H,4,8H2,1-3H3