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

Systemtic Name: methyl 2-tert-butyl-5-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate Openeye Name: methyl 2-tert-butyl-5-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzo[g]benzofuran-3-carboxylate CAS Name: 2-tert-butyl-5-[(4-methyl-3-nitrophenyl)sulfonylamino]-3-benzo[g]benzofurancarboxylic acid methyl ester IUPAC Name: methyl 2-tert-butyl-5-[(4-methyl-3-nitrophenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate Traditional Name: 2-tert-butyl-5-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzo[g]benzofuran-3-carboxylic acid methyl ester Formula: C25H24N2O7S MolecularWeight: 496.53226

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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)OC)C(C)(C)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)OC)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C25H24N2O7S/c1-14-10-11-15(12-20(14)27(29)30)35(31,32)26-19-13-18-21(24(28)33-5)23(25(2,3)4)34-22(18)17-9-7-6-8-16(17)19/h6-13,26H,1-5H3