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

Systemtic Name: heptyl 2-methyl-5-[(4-methyl-3-nitro-phenyl)sulfonylamino]-1-benzofuran-3-carboxylate Openeye Name: heptyl 2-methyl-5-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(4-methyl-3-nitrophenyl)sulfonylamino]-3-benzofurancarboxylic acid heptyl ester IUPAC Name: heptyl 2-methyl-5-[(4-methyl-3-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-5-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzofuran-3-carboxylic acid heptyl ester Formula: C24H28N2O7S MolecularWeight: 488.55332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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