butyl 2-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate

Systemtic Name: butyl 2-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate Openeye Name: butyl 2-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzo[g]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]-3-benzo[g]benzofurancarboxylic acid butyl ester IUPAC Name: butyl 2-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate Traditional Name: 5-(mesitylsulfonylamino)-2-methyl-benzo[g]benzofuran-3-carboxylic acid butyl ester Formula: C27H29NO5S MolecularWeight: 479.58786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(OC2=C1C=C(C3=CC=CC=C32)NS(=O)(=O)C4=C(C=C(C=C4C)C)C)C

Isomeric SMILES

CCCCOC(=O)C1=C(OC2=C1C=C(C3=CC=CC=C32)NS(=O)(=O)C4=C(C=C(C=C4C)C)C)C

InChI

InChI=1S/C27H29NO5S/c1-6-7-12-32-27(29)24-19(5)33-25-21-11-9-8-10-20(21)23(15-22(24)25)28-34(30,31)26-17(3)13-16(2)14-18(26)4/h8-11,13-15,28H,6-7,12H2,1-5H3