ethyl 5-[(4-tert-butylphenyl)sulfonylamino]-6-methyl-2-propyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-[(4-tert-butylphenyl)sulfonylamino]-6-methyl-2-propyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(4-tert-butylphenyl)sulfonylamino]-6-methyl-2-propyl-benzofuran-3-carboxylate CAS Name: 5-[(4-tert-butylphenyl)sulfonylamino]-6-methyl-2-propyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-tert-butylphenyl)sulfonylamino]-6-methyl-2-propyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(4-tert-butylphenyl)sulfonylamino]-6-methyl-2-propyl-benzofuran-3-carboxylic acid ethyl ester Formula: C25H31NO5S MolecularWeight: 457.58234

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=CC(=C(C=C2O1)C)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)OCC

Isomeric SMILES

CCCC1=C(C2=CC(=C(C=C2O1)C)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)OCC

InChI

InChI=1S/C25H31NO5S/c1-7-9-21-23(24(27)30-8-2)19-15-20(16(3)14-22(19)31-21)26-32(28,29)18-12-10-17(11-13-18)25(4,5)6/h10-15,26H,7-9H2,1-6H3