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

Systemtic Name: octyl 5-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-2-methyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: octyl 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 octyl ester IUPAC Name: octyl 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 octyl ester Formula: C29H32N2O8S MolecularWeight: 568.63798

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

Isomeric SMILES

CCCCCCCCOC(=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/C29H32N2O8S/c1-4-5-6-7-8-11-16-38-29(32)27-19(2)39-28-22-13-10-9-12-21(22)24(18-23(27)28)30-40(35,36)20-14-15-26(37-3)25(17-20)31(33)34/h9-10,12-15,17-18,30H,4-8,11,16H2,1-3H3