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

Systemtic Name: hexyl 5-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-2-methyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: hexyl 5-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-2-methyl-benzo[g]benzofuran-3-carboxylate CAS Name: 5-[(4-methoxy-3-nitrophenyl)sulfonylamino]-2-methyl-3-benzo[g]benzofurancarboxylic acid hexyl ester IUPAC Name: hexyl 5-[(4-methoxy-3-nitrophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate Traditional Name: 5-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-2-methyl-benzo[g]benzofuran-3-carboxylic acid hexyl ester Formula: C27H28N2O8S MolecularWeight: 540.58482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O8S/c1-4-5-6-9-14-36-27(30)25-17(2)37-26-20-11-8-7-10-19(20)22(16-21(25)26)28-38(33,34)18-12-13-24(35-3)23(15-18)29(31)32/h7-8,10-13,15-16,28H,4-6,9,14H2,1-3H3