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

Systemtic Name: pentyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-methyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: pentyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-methyl-benzo[g]benzofuran-3-carboxylate CAS Name: 5-[(4-ethoxyphenyl)sulfonylamino]-2-methyl-3-benzo[g]benzofurancarboxylic acid pentyl ester IUPAC Name: pentyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate Traditional Name: 2-methyl-5-(p-phenetylsulfonylamino)benzo[g]benzofuran-3-carboxylic acid amyl ester Formula: C27H29NO6S MolecularWeight: 495.58726

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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)OCC)C

Isomeric SMILES

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

InChI

InChI=1S/C27H29NO6S/c1-4-6-9-16-33-27(29)25-18(3)34-26-22-11-8-7-10-21(22)24(17-23(25)26)28-35(30,31)20-14-12-19(13-15-20)32-5-2/h7-8,10-15,17,28H,4-6,9,16H2,1-3H3