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

Systemtic Name: octyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-methyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: octyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-methyl-benzo[g]benzofuran-3-carboxylate CAS Name: 5-[(4-ethoxyphenyl)sulfonylamino]-2-methyl-3-benzo[g]benzofurancarboxylic acid octyl ester IUPAC Name: octyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate Traditional Name: 2-methyl-5-(p-phenetylsulfonylamino)benzo[g]benzofuran-3-carboxylic acid octyl ester Formula: C30H35NO6S MolecularWeight: 537.667

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H35NO6S/c1-4-6-7-8-9-12-19-36-30(32)28-21(3)37-29-25-14-11-10-13-24(25)27(20-26(28)29)31-38(33,34)23-17-15-22(16-18-23)35-5-2/h10-11,13-18,20,31H,4-9,12,19H2,1-3H3