heptyl 2-methyl-5-[(3-nitrophenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate

Systemtic Name: heptyl 2-methyl-5-[(3-nitrophenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate Openeye Name: heptyl 2-methyl-5-[(3-nitrophenyl)sulfonylamino]benzo[g]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(3-nitrophenyl)sulfonylamino]-3-benzo[g]benzofurancarboxylic acid heptyl ester IUPAC Name: heptyl 2-methyl-5-[(3-nitrophenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate Traditional Name: 2-methyl-5-[(3-nitrophenyl)sulfonylamino]benzo[g]benzofuran-3-carboxylic acid heptyl ester Formula: C27H28N2O7S MolecularWeight: 524.58542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O7S/c1-3-4-5-6-9-15-35-27(30)25-18(2)36-26-22-14-8-7-13-21(22)24(17-23(25)26)28-37(33,34)20-12-10-11-19(16-20)29(31)32/h7-8,10-14,16-17,28H,3-6,9,15H2,1-2H3