ethyl 5-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-2-propyl-benzo[g][1]benzofuran-3-carboxylate

Systemtic Name: ethyl 5-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-2-propyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: ethyl 5-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-2-propyl-benzo[g]benzofuran-3-carboxylate CAS Name: 5-[(4-methoxy-3-nitrophenyl)sulfonylamino]-2-propyl-3-benzo[g]benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-methoxy-3-nitrophenyl)sulfonylamino]-2-propylbenzo[g][1]benzofuran-3-carboxylate Traditional Name: 5-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-2-propyl-benzo[g]benzofuran-3-carboxylic acid ethyl ester Formula: C25H24N2O8S MolecularWeight: 512.53166

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(O1)C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCC1=C(C2=C(O1)C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C25H24N2O8S/c1-4-8-22-23(25(28)34-5-2)18-14-19(16-9-6-7-10-17(16)24(18)35-22)26-36(31,32)15-11-12-21(33-3)20(13-15)27(29)30/h6-7,9-14,26H,4-5,8H2,1-3H3