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

Systemtic Name: (phenylmethyl) 5-[(4-tert-butylphenyl)sulfonylamino]-2-methyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C31H29NO5S MolecularWeight: 527.63066

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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)OCC5=CC=CC=C5

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)OCC5=CC=CC=C5

InChI

InChI=1S/C31H29NO5S/c1-20-28(30(33)36-19-21-10-6-5-7-11-21)26-18-27(24-12-8-9-13-25(24)29(26)37-20)32-38(34,35)23-16-14-22(15-17-23)31(2,3)4/h5-18,32H,19H2,1-4H3