methyl 2-methyl-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]-1-benzofuran-3-carboxylate

Systemtic Name: methyl 2-methyl-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]-1-benzofuran-3-carboxylate Openeye Name: methyl 5-[(4-isobutylphenyl)sulfonylamino]-2-methyl-benzofuran-3-carboxylate CAS Name: 2-methyl-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]-1-benzofuran-3-carboxylate Traditional Name: 5-[(4-isobutylphenyl)sulfonylamino]-2-methyl-benzofuran-3-carboxylic acid methyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)CC(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)CC(C)C)C(=O)OC

InChI

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