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

Systemtic Name: pentyl 2-methyl-5-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate Openeye Name: pentyl 2-methyl-5-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzo[g]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(4-methyl-3-nitrophenyl)sulfonylamino]-3-benzo[g]benzofurancarboxylic acid pentyl ester IUPAC Name: pentyl 2-methyl-5-[(4-methyl-3-nitrophenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate Traditional Name: 2-methyl-5-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzo[g]benzofuran-3-carboxylic acid amyl ester Formula: C26H26N2O7S MolecularWeight: 510.55884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCOC(=O)C1=C(OC2=C1C=C(C3=CC=CC=C32)NS(=O)(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-])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)18-12-11-16(2)23(14-18)28(30)31/h6-7,9-12,14-15,27H,4-5,8,13H2,1-3H3