methyl 5-[(4-tert-butylphenyl)sulfonylamino]-2-methyl-benzo[g][1]benzofuran-3-carboxylate

Systemtic Name: methyl 5-[(4-tert-butylphenyl)sulfonylamino]-2-methyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: methyl 5-[(4-tert-butylphenyl)sulfonylamino]-2-methyl-benzo[g]benzofuran-3-carboxylate CAS Name: 5-[(4-tert-butylphenyl)sulfonylamino]-2-methyl-3-benzo[g]benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-tert-butylphenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate Traditional Name: 5-[(4-tert-butylphenyl)sulfonylamino]-2-methyl-benzo[g]benzofuran-3-carboxylic acid methyl ester Formula: C25H25NO5S MolecularWeight: 451.5347

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C2=C(O1)C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)C(=O)OC

InChI

InChI=1S/C25H25NO5S/c1-15-22(24(27)30-5)20-14-21(18-8-6-7-9-19(18)23(20)31-15)26-32(28,29)17-12-10-16(11-13-17)25(2,3)4/h6-14,26H,1-5H3