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

Systemtic Name: pentyl 5-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C21H21ClN2O7S MolecularWeight: 480.91864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O7S/c1-3-4-5-10-30-21(25)20-13(2)31-19-9-6-14(11-16(19)20)23-32(28,29)15-7-8-17(22)18(12-15)24(26)27/h6-9,11-12,23H,3-5,10H2,1-2H3