(2-methoxy-5-nitro-phenyl)methyl 4-chloranyl-3-(oxolan-2-ylmethylsulfamoyl)benzoate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 4-chloranyl-3-(oxolan-2-ylmethylsulfamoyl)benzoate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 4-chloro-3-(tetrahydrofuran-2-ylmethylsulfamoyl)benzoate CAS Name: 4-chloro-3-(2-oxolanylmethylsulfamoyl)benzoic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoate Traditional Name: 4-chloro-3-(tetrahydrofurfurylsulfamoyl)benzoic acid (2-methoxy-5-nitro-benzyl) ester Formula: C20H21ClN2O8S MolecularWeight: 484.90734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3CCCO3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3CCCO3

InChI

InChI=1S/C20H21ClN2O8S/c1-29-18-7-5-15(23(25)26)9-14(18)12-31-20(24)13-4-6-17(21)19(10-13)32(27,28)22-11-16-3-2-8-30-16/h4-7,9-10,16,22H,2-3,8,11-12H2,1H3