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

Systemtic Name: pentyl 5-[(4-tert-butylphenyl)sulfonylamino]-2-methyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C29H33NO5S MolecularWeight: 507.64102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33NO5S/c1-6-7-10-17-34-28(31)26-19(2)35-27-23-12-9-8-11-22(23)25(18-24(26)27)30-36(32,33)21-15-13-20(14-16-21)29(3,4)5/h8-9,11-16,18,30H,6-7,10,17H2,1-5H3