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

Systemtic Name: octyl 2-methyl-5-[(4-propan-2-ylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate Openeye Name: octyl 5-[(4-isopropylphenyl)sulfonylamino]-2-methyl-benzo[g]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(4-propan-2-ylphenyl)sulfonylamino]-3-benzo[g]benzofurancarboxylic acid octyl ester IUPAC Name: octyl 2-methyl-5-[(4-propan-2-ylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate Traditional Name: 2-methyl-5-(p-cumenylsulfonylamino)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=CC=C(C=C4)C(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C31H37NO5S/c1-5-6-7-8-9-12-19-36-31(33)29-22(4)37-30-26-14-11-10-13-25(26)28(20-27(29)30)32-38(34,35)24-17-15-23(16-18-24)21(2)3/h10-11,13-18,20-21,32H,5-9,12,19H2,1-4H3