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

Systemtic Name: (phenylmethyl) 5-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: benzyl 5-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(4-methoxy-3-nitrophenyl)sulfonylamino]-2-methyl-3-benzofurancarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[(4-methoxy-3-nitrophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-2-methyl-benzofuran-3-carboxylic acid benzyl ester Formula: C24H20N2O8S MolecularWeight: 496.4892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20N2O8S/c1-15-23(24(27)33-14-16-6-4-3-5-7-16)19-12-17(8-10-21(19)34-15)25-35(30,31)18-9-11-22(32-2)20(13-18)26(28)29/h3-13,25H,14H2,1-2H3