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

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

Click to see the large picture

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(=C4)C)C)C)C

Isomeric SMILES

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