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

Systemtic Name: (phenylmethyl) 5-[(2-chloranyl-5-nitro-phenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: benzyl 5-[(2-chloro-5-nitro-phenyl)sulfonylamino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(2-chloro-5-nitrophenyl)sulfonylamino]-2-methyl-3-benzofurancarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[(2-chloro-5-nitrophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(2-chloro-5-nitro-phenyl)sulfonylamino]-2-methyl-benzofuran-3-carboxylic acid benzyl ester Formula: C23H17ClN2O7S MolecularWeight: 500.90828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H17ClN2O7S/c1-14-22(23(27)32-13-15-5-3-2-4-6-15)18-11-16(7-10-20(18)33-14)25-34(30,31)21-12-17(26(28)29)8-9-19(21)24/h2-12,25H,13H2,1H3