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

Systemtic Name: hexyl 5-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: hexyl 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 hexyl ester IUPAC Name: hexyl 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 hexyl ester Formula: C23H26N2O8S MolecularWeight: 490.52614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O8S/c1-4-5-6-7-12-32-23(26)22-15(2)33-20-10-8-16(13-18(20)22)24-34(29,30)17-9-11-21(31-3)19(14-17)25(27)28/h8-11,13-14,24H,4-7,12H2,1-3H3