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

Systemtic Name: butyl 5-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C20H19ClN2O7S MolecularWeight: 466.89206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O7S/c1-3-4-9-29-20(24)19-12(2)30-18-8-5-13(10-15(18)19)22-31(27,28)14-6-7-16(21)17(11-14)23(25)26/h5-8,10-11,22H,3-4,9H2,1-2H3