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

Systemtic Name: pentyl 2-methyl-5-[(2-methyl-5-nitro-phenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate Openeye Name: pentyl 2-methyl-5-[(2-methyl-5-nitro-phenyl)sulfonylamino]benzo[g]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(2-methyl-5-nitrophenyl)sulfonylamino]-3-benzo[g]benzofurancarboxylic acid pentyl ester IUPAC Name: pentyl 2-methyl-5-[(2-methyl-5-nitrophenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate Traditional Name: 2-methyl-5-[(2-methyl-5-nitro-phenyl)sulfonylamino]benzo[g]benzofuran-3-carboxylic acid amyl ester Formula: C26H26N2O7S MolecularWeight: 510.55884

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=C(C=CC(=C4)[N+](=O)[O-])C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O7S/c1-4-5-8-13-34-26(29)24-17(3)35-25-20-10-7-6-9-19(20)22(15-21(24)25)27-36(32,33)23-14-18(28(30)31)12-11-16(23)2/h6-7,9-12,14-15,27H,4-5,8,13H2,1-3H3