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

Systemtic Name: (phenylmethyl) 5-[(4-ethylphenyl)sulfonylamino]-2-methyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: benzyl 5-[(4-ethylphenyl)sulfonylamino]-2-methyl-benzo[g]benzofuran-3-carboxylate CAS Name: 5-[(4-ethylphenyl)sulfonylamino]-2-methyl-3-benzo[g]benzofurancarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[(4-ethylphenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate Traditional Name: 5-[(4-ethylphenyl)sulfonylamino]-2-methyl-benzo[g]benzofuran-3-carboxylic acid benzyl ester Formula: C29H25NO5S MolecularWeight: 499.5775

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C4=CC=CC=C42)OC(=C3C(=O)OCC5=CC=CC=C5)C

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C4=CC=CC=C42)OC(=C3C(=O)OCC5=CC=CC=C5)C

InChI

InChI=1S/C29H25NO5S/c1-3-20-13-15-22(16-14-20)36(32,33)30-26-17-25-27(29(31)34-18-21-9-5-4-6-10-21)19(2)35-28(25)24-12-8-7-11-23(24)26/h4-17,30H,3,18H2,1-2H3