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

Systemtic Name: ethyl 2-methyl-5-[(4-methyl-3-nitro-phenyl)sulfonylamino]-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-methyl-5-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(4-methyl-3-nitrophenyl)sulfonylamino]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-[(4-methyl-3-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-5-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzofuran-3-carboxylic acid ethyl ester Formula: C19H18N2O7S MolecularWeight: 418.42042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])C

InChI

InChI=1S/C19H18N2O7S/c1-4-27-19(22)18-12(3)28-17-8-6-13(9-15(17)18)20-29(25,26)14-7-5-11(2)16(10-14)21(23)24/h5-10,20H,4H2,1-3H3