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

Systemtic Name: (phenylmethyl) 2-methyl-5-[(3-nitrophenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate Openeye Name: benzyl 2-methyl-5-[(3-nitrophenyl)sulfonylamino]benzo[g]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(3-nitrophenyl)sulfonylamino]-3-benzo[g]benzofurancarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-methyl-5-[(3-nitrophenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate Traditional Name: 2-methyl-5-[(3-nitrophenyl)sulfonylamino]benzo[g]benzofuran-3-carboxylic acid benzyl ester Formula: C27H20N2O7S MolecularWeight: 516.5219

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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=CC(=C4)[N+](=O)[O-])C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=C(O1)C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C27H20N2O7S/c1-17-25(27(30)35-16-18-8-3-2-4-9-18)23-15-24(21-12-5-6-13-22(21)26(23)36-17)28-37(33,34)20-11-7-10-19(14-20)29(31)32/h2-15,28H,16H2,1H3