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

Systemtic Name: heptyl 5-[(2,5-dimethylphenyl)sulfonylamino]-2-methyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: heptyl 5-[(2,5-dimethylphenyl)sulfonylamino]-2-methyl-benzo[g]benzofuran-3-carboxylate CAS Name: 5-[(2,5-dimethylphenyl)sulfonylamino]-2-methyl-3-benzo[g]benzofurancarboxylic acid heptyl ester IUPAC Name: heptyl 5-[(2,5-dimethylphenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate Traditional Name: 5-[(2,5-dimethylphenyl)sulfonylamino]-2-methyl-benzo[g]benzofuran-3-carboxylic acid heptyl ester Formula: C29H33NO5S MolecularWeight: 507.64102

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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=C(C=CC(=C4)C)C)C

Isomeric SMILES

CCCCCCCOC(=O)C1=C(OC2=C1C=C(C3=CC=CC=C32)NS(=O)(=O)C4=C(C=CC(=C4)C)C)C

InChI

InChI=1S/C29H33NO5S/c1-5-6-7-8-11-16-34-29(31)27-21(4)35-28-23-13-10-9-12-22(23)25(18-24(27)28)30-36(32,33)26-17-19(2)14-15-20(26)3/h9-10,12-15,17-18,30H,5-8,11,16H2,1-4H3