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

Systemtic Name: heptyl 2-methyl-5-[(3-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate Openeye Name: heptyl 2-methyl-5-[(3-nitrophenyl)sulfonylamino]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(3-nitrophenyl)sulfonylamino]-3-benzofurancarboxylic acid heptyl ester IUPAC Name: heptyl 2-methyl-5-[(3-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-5-[(3-nitrophenyl)sulfonylamino]benzofuran-3-carboxylic acid heptyl ester Formula: C23H26N2O7S MolecularWeight: 474.52674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O7S/c1-3-4-5-6-7-13-31-23(26)22-16(2)32-21-12-11-17(14-20(21)22)24-33(29,30)19-10-8-9-18(15-19)25(27)28/h8-12,14-15,24H,3-7,13H2,1-2H3