octyl 2-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate

Systemtic Name: octyl 2-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate Openeye Name: octyl 2-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzo[g]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]-3-benzo[g]benzofurancarboxylic acid octyl ester IUPAC Name: octyl 2-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate Traditional Name: 5-(mesitylsulfonylamino)-2-methyl-benzo[g]benzofuran-3-carboxylic acid octyl ester Formula: C31H37NO5S MolecularWeight: 535.69418

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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=C(C=C(C=C4C)C)C)C

Isomeric SMILES

CCCCCCCCOC(=O)C1=C(OC2=C1C=C(C3=CC=CC=C32)NS(=O)(=O)C4=C(C=C(C=C4C)C)C)C

InChI

InChI=1S/C31H37NO5S/c1-6-7-8-9-10-13-16-36-31(33)28-23(5)37-29-25-15-12-11-14-24(25)27(19-26(28)29)32-38(34,35)30-21(3)17-20(2)18-22(30)4/h11-12,14-15,17-19,32H,6-10,13,16H2,1-5H3