(phenylmethyl) 5-(butylsulfonylamino)-2,6-dimethyl-1-benzofuran-3-carboxylate

Systemtic Name: (phenylmethyl) 5-(butylsulfonylamino)-2,6-dimethyl-1-benzofuran-3-carboxylate Openeye Name: benzyl 5-(butylsulfonylamino)-2,6-dimethyl-benzofuran-3-carboxylate CAS Name: 5-(butylsulfonylamino)-2,6-dimethyl-3-benzofurancarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(butylsulfonylamino)-2,6-dimethyl-1-benzofuran-3-carboxylate Traditional Name: 5-(butylsulfonylamino)-2,6-dimethyl-benzofuran-3-carboxylic acid benzyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC1=C(C=C2C(=C1)C(=C(O2)C)C(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CCCCS(=O)(=O)NC1=C(C=C2C(=C1)C(=C(O2)C)C(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C22H25NO5S/c1-4-5-11-29(25,26)23-19-13-18-20(12-15(19)2)28-16(3)21(18)22(24)27-14-17-9-7-6-8-10-17/h6-10,12-13,23H,4-5,11,14H2,1-3H3