(phenylmethyl) 5-[(2,4-dimethylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: (phenylmethyl) 5-[(2,4-dimethylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: benzyl 5-[(2,4-dimethylphenyl)sulfonylamino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(2,4-dimethylphenyl)sulfonylamino]-2-methyl-3-benzofurancarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[(2,4-dimethylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(2,4-dimethylphenyl)sulfonylamino]-2-methyl-benzofuran-3-carboxylic acid benzyl ester Formula: C25H23NO5S MolecularWeight: 449.51882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC(=C3C(=O)OCC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC(=C3C(=O)OCC4=CC=CC=C4)C)C

InChI

InChI=1S/C25H23NO5S/c1-16-9-12-23(17(2)13-16)32(28,29)26-20-10-11-22-21(14-20)24(18(3)31-22)25(27)30-15-19-7-5-4-6-8-19/h4-14,26H,15H2,1-3H3