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

Systemtic Name: methyl 2-tert-butyl-5-[(2-chloranyl-5-nitro-phenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate Openeye Name: methyl 2-tert-butyl-5-[(2-chloro-5-nitro-phenyl)sulfonylamino]benzo[g]benzofuran-3-carboxylate CAS Name: 2-tert-butyl-5-[(2-chloro-5-nitrophenyl)sulfonylamino]-3-benzo[g]benzofurancarboxylic acid methyl ester IUPAC Name: methyl 2-tert-butyl-5-[(2-chloro-5-nitrophenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate Traditional Name: 2-tert-butyl-5-[(2-chloro-5-nitro-phenyl)sulfonylamino]benzo[g]benzofuran-3-carboxylic acid methyl ester Formula: C24H21ClN2O7S MolecularWeight: 516.95074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C2=C(O1)C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=C(C2=C(O1)C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)C(=O)OC

InChI

InChI=1S/C24H21ClN2O7S/c1-24(2,3)22-20(23(28)33-4)16-12-18(14-7-5-6-8-15(14)21(16)34-22)26-35(31,32)19-11-13(27(29)30)9-10-17(19)25/h5-12,26H,1-4H3