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

Systemtic Name: ethyl 5-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]-2-propyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(4-chloro-3-nitro-phenyl)sulfonylamino]-2-propyl-benzofuran-3-carboxylate CAS Name: 5-[(4-chloro-3-nitrophenyl)sulfonylamino]-2-propyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-chloro-3-nitrophenyl)sulfonylamino]-2-propyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(4-chloro-3-nitro-phenyl)sulfonylamino]-2-propyl-benzofuran-3-carboxylic acid ethyl ester Formula: C20H19ClN2O7S MolecularWeight: 466.89206

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C20H19ClN2O7S/c1-3-5-18-19(20(24)29-4-2)14-10-12(6-9-17(14)30-18)22-31(27,28)13-7-8-15(21)16(11-13)23(25)26/h6-11,22H,3-5H2,1-2H3