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

Systemtic Name: octyl 5-[(4-chloranyl-3-methyl-phenyl)sulfonylamino]-2-methyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: octyl 5-[(4-chloro-3-methyl-phenyl)sulfonylamino]-2-methyl-benzo[g]benzofuran-3-carboxylate CAS Name: 5-[(4-chloro-3-methylphenyl)sulfonylamino]-2-methyl-3-benzo[g]benzofurancarboxylic acid octyl ester IUPAC Name: octyl 5-[(4-chloro-3-methylphenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate Traditional Name: 5-[(4-chloro-3-methyl-phenyl)sulfonylamino]-2-methyl-benzo[g]benzofuran-3-carboxylic acid octyl ester Formula: C29H32ClNO5S MolecularWeight: 542.08608

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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)Cl)C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H32ClNO5S/c1-4-5-6-7-8-11-16-35-29(32)27-20(3)36-28-23-13-10-9-12-22(23)26(18-24(27)28)31-37(33,34)21-14-15-25(30)19(2)17-21/h9-10,12-15,17-18,31H,4-8,11,16H2,1-3H3