2,2-dimethylpropanoyloxymethyl 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoate

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoate Openeye Name: 2,2-dimethylpropanoyloxymethyl 4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzoate CAS Name: 4-chloro-2-(2-furanylmethylamino)-5-sulfamoylbenzoic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate Traditional Name: 4-chloro-2-(2-furfurylamino)-5-sulfamoyl-benzoic acid pivaloyloxymethyl ester Formula: C18H21ClN2O7S MolecularWeight: 444.88654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCOC(=O)C1=CC(=C(C=C1NCC2=CC=CO2)Cl)S(=O)(=O)N

Isomeric SMILES

CC(C)(C)C(=O)OCOC(=O)C1=CC(=C(C=C1NCC2=CC=CO2)Cl)S(=O)(=O)N

InChI

InChI=1S/C18H21ClN2O7S/c1-18(2,3)17(23)28-10-27-16(22)12-7-15(29(20,24)25)13(19)8-14(12)21-9-11-5-4-6-26-11/h4-8,21H,9-10H2,1-3H3,(H2,20,24,25)