heptyl 2-methyl-5-[(4-methylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate

Systemtic Name: heptyl 2-methyl-5-[(4-methylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate Openeye Name: heptyl 2-methyl-5-(p-tolylsulfonylamino)benzo[g]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(4-methylphenyl)sulfonylamino]-3-benzo[g]benzofurancarboxylic acid heptyl ester IUPAC Name: heptyl 2-methyl-5-[(4-methylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate Traditional Name: 2-methyl-5-(tosylamino)benzo[g]benzofuran-3-carboxylic acid heptyl ester Formula: C28H31NO5S MolecularWeight: 493.61444

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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=C(C=C4)C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H31NO5S/c1-4-5-6-7-10-17-33-28(30)26-20(3)34-27-23-12-9-8-11-22(23)25(18-24(26)27)29-35(31,32)21-15-13-19(2)14-16-21/h8-9,11-16,18,29H,4-7,10,17H2,1-3H3