methyl 2-tert-butyl-5-[(4-chlorophenyl)sulfonylamino]-6-methyl-1-benzofuran-3-carboxylate

Systemtic Name: methyl 2-tert-butyl-5-[(4-chlorophenyl)sulfonylamino]-6-methyl-1-benzofuran-3-carboxylate Openeye Name: methyl 2-tert-butyl-5-[(4-chlorophenyl)sulfonylamino]-6-methyl-benzofuran-3-carboxylate CAS Name: 2-tert-butyl-5-[(4-chlorophenyl)sulfonylamino]-6-methyl-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 2-tert-butyl-5-[(4-chlorophenyl)sulfonylamino]-6-methyl-1-benzofuran-3-carboxylate Traditional Name: 2-tert-butyl-5-[(4-chlorophenyl)sulfonylamino]-6-methyl-benzofuran-3-carboxylic acid methyl ester Formula: C21H22ClNO5S MolecularWeight: 435.92108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC(=C2C(=O)OC)C(C)(C)C)NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)OC(=C2C(=O)OC)C(C)(C)C)NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

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