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

Systemtic Name: pentyl 2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate Openeye Name: pentyl 2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzo[g]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]-3-benzo[g]benzofurancarboxylic acid pentyl ester IUPAC Name: pentyl 2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate Traditional Name: 2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]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=C(C=C(C(=C4)C)C)C)C

Isomeric SMILES

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

InChI

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