pentyl 2-methyl-5-[(4-propan-2-ylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate

Systemtic Name: pentyl 2-methyl-5-[(4-propan-2-ylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate Openeye Name: pentyl 5-[(4-isopropylphenyl)sulfonylamino]-2-methyl-benzo[g]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(4-propan-2-ylphenyl)sulfonylamino]-3-benzo[g]benzofurancarboxylic acid pentyl ester IUPAC Name: pentyl 2-methyl-5-[(4-propan-2-ylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate Traditional Name: 2-methyl-5-(p-cumenylsulfonylamino)benzo[g]benzofuran-3-carboxylic acid amyl ester Formula: C28H31NO5S MolecularWeight: 493.61444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31NO5S/c1-5-6-9-16-33-28(30)26-19(4)34-27-23-11-8-7-10-22(23)25(17-24(26)27)29-35(31,32)21-14-12-20(13-15-21)18(2)3/h7-8,10-15,17-18,29H,5-6,9,16H2,1-4H3