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

Systemtic Name: butyl 5-[(4-chloranyl-3-methyl-phenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: butyl 5-[(4-chloro-3-methyl-phenyl)sulfonylamino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(4-chloro-3-methylphenyl)sulfonylamino]-2-methyl-3-benzofurancarboxylic acid butyl ester IUPAC Name: butyl 5-[(4-chloro-3-methylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(4-chloro-3-methyl-phenyl)sulfonylamino]-2-methyl-benzofuran-3-carboxylic acid butyl ester Formula: C21H22ClNO5S MolecularWeight: 435.92108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)C)C

Isomeric SMILES

CCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)C)C

InChI

InChI=1S/C21H22ClNO5S/c1-4-5-10-27-21(24)20-14(3)28-19-9-6-15(12-17(19)20)23-29(25,26)16-7-8-18(22)13(2)11-16/h6-9,11-12,23H,4-5,10H2,1-3H3