(phenylmethyl) 5-(butylsulfonylamino)-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: (phenylmethyl) 5-(butylsulfonylamino)-2-methyl-1-benzofuran-3-carboxylate Openeye Name: benzyl 5-(butylsulfonylamino)-2-methyl-benzofuran-3-carboxylate CAS Name: 5-(butylsulfonylamino)-2-methyl-3-benzofurancarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(butylsulfonylamino)-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-(butylsulfonylamino)-2-methyl-benzofuran-3-carboxylic acid benzyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC1=CC2=C(C=C1)OC(=C2C(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CCCCS(=O)(=O)NC1=CC2=C(C=C1)OC(=C2C(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C21H23NO5S/c1-3-4-12-28(24,25)22-17-10-11-19-18(13-17)20(15(2)27-19)21(23)26-14-16-8-6-5-7-9-16/h5-11,13,22H,3-4,12,14H2,1-2H3