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

Systemtic Name: octyl 2-methyl-5-[(2-methyl-5-nitro-phenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate Openeye Name: octyl 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 octyl ester IUPAC Name: octyl 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 octyl ester Formula: C29H32N2O7S MolecularWeight: 552.63858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=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

CCCCCCCCOC(=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/C29H32N2O7S/c1-4-5-6-7-8-11-16-37-29(32)27-20(3)38-28-23-13-10-9-12-22(23)25(18-24(27)28)30-39(35,36)26-17-21(31(33)34)15-14-19(26)2/h9-10,12-15,17-18,30H,4-8,11,16H2,1-3H3