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

Systemtic Name: heptyl 5-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: heptyl 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 heptyl ester IUPAC Name: heptyl 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 heptyl ester Formula: C24H28N2O8S MolecularWeight: 504.55272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O8S/c1-4-5-6-7-8-13-33-24(27)23-16(2)34-21-11-9-17(14-19(21)23)25-35(30,31)18-10-12-22(32-3)20(15-18)26(28)29/h9-12,14-15,25H,4-8,13H2,1-3H3