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

Systemtic Name: (phenylmethyl) 2-methyl-5-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate Openeye Name: benzyl 2-methyl-5-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzo[g]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(4-methyl-3-nitrophenyl)sulfonylamino]-3-benzo[g]benzofurancarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-methyl-5-[(4-methyl-3-nitrophenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate Traditional Name: 2-methyl-5-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzo[g]benzofuran-3-carboxylic acid benzyl ester Formula: C28H22N2O7S MolecularWeight: 530.54848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C4=CC=CC=C42)OC(=C3C(=O)OCC5=CC=CC=C5)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C4=CC=CC=C42)OC(=C3C(=O)OCC5=CC=CC=C5)C)[N+](=O)[O-]

InChI

InChI=1S/C28H22N2O7S/c1-17-12-13-20(14-25(17)30(32)33)38(34,35)29-24-15-23-26(28(31)36-16-19-8-4-3-5-9-19)18(2)37-27(23)22-11-7-6-10-21(22)24/h3-15,29H,16H2,1-2H3