ethyl 7-bromanyl-2-methyl-5-[(3-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 7-bromanyl-2-methyl-5-[(3-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate Openeye Name: ethyl 7-bromo-2-methyl-5-[(3-nitrophenyl)sulfonylamino]benzofuran-3-carboxylate CAS Name: 7-bromo-2-methyl-5-[(3-nitrophenyl)sulfonylamino]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 7-bromo-2-methyl-5-[(3-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate Traditional Name: 7-bromo-2-methyl-5-[(3-nitrophenyl)sulfonylamino]benzofuran-3-carboxylic acid ethyl ester Formula: C18H15BrN2O7S MolecularWeight: 483.2899

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C=C(C=C12)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])Br)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C=C(C=C12)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])Br)C

InChI

InChI=1S/C18H15BrN2O7S/c1-3-27-18(22)16-10(2)28-17-14(16)7-11(8-15(17)19)20-29(25,26)13-6-4-5-12(9-13)21(23)24/h4-9,20H,3H2,1-2H3