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

Systemtic Name: heptyl 2-methyl-5-[(2-methyl-5-nitro-phenyl)sulfonylamino]-1-benzofuran-3-carboxylate Openeye Name: heptyl 2-methyl-5-[(2-methyl-5-nitro-phenyl)sulfonylamino]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(2-methyl-5-nitrophenyl)sulfonylamino]-3-benzofurancarboxylic acid heptyl ester IUPAC Name: heptyl 2-methyl-5-[(2-methyl-5-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-5-[(2-methyl-5-nitro-phenyl)sulfonylamino]benzofuran-3-carboxylic acid heptyl ester Formula: C24H28N2O7S MolecularWeight: 488.55332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O7S/c1-4-5-6-7-8-13-32-24(27)23-17(3)33-21-12-10-18(14-20(21)23)25-34(30,31)22-15-19(26(28)29)11-9-16(22)2/h9-12,14-15,25H,4-8,13H2,1-3H3