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

Systemtic Name: octyl 5-[(2,5-dimethylphenyl)sulfonylamino]-2-methyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: octyl 5-[(2,5-dimethylphenyl)sulfonylamino]-2-methyl-benzo[g]benzofuran-3-carboxylate CAS Name: 5-[(2,5-dimethylphenyl)sulfonylamino]-2-methyl-3-benzo[g]benzofurancarboxylic acid octyl ester IUPAC Name: octyl 5-[(2,5-dimethylphenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate Traditional Name: 5-[(2,5-dimethylphenyl)sulfonylamino]-2-methyl-benzo[g]benzofuran-3-carboxylic acid octyl ester Formula: C30H35NO5S MolecularWeight: 521.6676

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=CC(=C4)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C30H35NO5S/c1-5-6-7-8-9-12-17-35-30(32)28-22(4)36-29-24-14-11-10-13-23(24)26(19-25(28)29)31-37(33,34)27-18-20(2)15-16-21(27)3/h10-11,13-16,18-19,31H,5-9,12,17H2,1-4H3