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

Systemtic Name: octyl 5-[(4-tert-butylphenyl)sulfonylamino]-2-methyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: octyl 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 octyl ester IUPAC Name: octyl 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 octyl ester Formula: C32H39NO5S MolecularWeight: 549.72076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=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

CCCCCCCCOC(=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/C32H39NO5S/c1-6-7-8-9-10-13-20-37-31(34)29-22(2)38-30-26-15-12-11-14-25(26)28(21-27(29)30)33-39(35,36)24-18-16-23(17-19-24)32(3,4)5/h11-12,14-19,21,33H,6-10,13,20H2,1-5H3