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

Systemtic Name: octyl 5-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: octyl 5-[(4-chloro-3-nitro-phenyl)sulfonylamino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(4-chloro-3-nitrophenyl)sulfonylamino]-2-methyl-3-benzofurancarboxylic acid octyl ester IUPAC Name: octyl 5-[(4-chloro-3-nitrophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(4-chloro-3-nitro-phenyl)sulfonylamino]-2-methyl-benzofuran-3-carboxylic acid octyl ester Formula: C24H27ClN2O7S MolecularWeight: 522.99838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CCCCCCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C24H27ClN2O7S/c1-3-4-5-6-7-8-13-33-24(28)23-16(2)34-22-12-9-17(14-19(22)23)26-35(31,32)18-10-11-20(25)21(15-18)27(29)30/h9-12,14-15,26H,3-8,13H2,1-2H3