pentyl 2-methyl-5-[(3-nitrophenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate

Systemtic Name: pentyl 2-methyl-5-[(3-nitrophenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate Openeye Name: pentyl 2-methyl-5-[(3-nitrophenyl)sulfonylamino]benzo[g]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(3-nitrophenyl)sulfonylamino]-3-benzo[g]benzofurancarboxylic acid pentyl ester IUPAC Name: pentyl 2-methyl-5-[(3-nitrophenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate Traditional Name: 2-methyl-5-[(3-nitrophenyl)sulfonylamino]benzo[g]benzofuran-3-carboxylic acid amyl ester Formula: C25H24N2O7S MolecularWeight: 496.53226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(OC2=C1C=C(C3=CC=CC=C32)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CCCCCOC(=O)C1=C(OC2=C1C=C(C3=CC=CC=C32)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C25H24N2O7S/c1-3-4-7-13-33-25(28)23-16(2)34-24-20-12-6-5-11-19(20)22(15-21(23)24)26-35(31,32)18-10-8-9-17(14-18)27(29)30/h5-6,8-12,14-15,26H,3-4,7,13H2,1-2H3