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

Systemtic Name: pentyl 5-[(2-chloranyl-5-nitro-phenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: pentyl 5-[(2-chloro-5-nitro-phenyl)sulfonylamino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(2-chloro-5-nitrophenyl)sulfonylamino]-2-methyl-3-benzofurancarboxylic acid pentyl ester IUPAC Name: pentyl 5-[(2-chloro-5-nitrophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(2-chloro-5-nitro-phenyl)sulfonylamino]-2-methyl-benzofuran-3-carboxylic acid amyl ester Formula: C21H21ClN2O7S MolecularWeight: 480.91864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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