tert-butyl 4-[(5-chloranyl-2-methoxycarbonyl-phenyl)carbamoylsulfamoyl]-2-oxidanyl-benzoate

Systemtic Name: tert-butyl 4-[(5-chloranyl-2-methoxycarbonyl-phenyl)carbamoylsulfamoyl]-2-oxidanyl-benzoate Openeye Name: tert-butyl 4-[(5-chloro-2-methoxycarbonyl-phenyl)carbamoylsulfamoyl]-2-hydroxy-benzoate CAS Name: 4-[[(5-chloro-2-methoxycarbonylanilino)-oxomethyl]sulfamoyl]-2-hydroxybenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(5-chloro-2-methoxycarbonylphenyl)carbamoylsulfamoyl]-2-hydroxybenzoate Traditional Name: 4-[(2-carbomethoxy-5-chloro-phenyl)carbamoylsulfamoyl]-2-hydroxy-benzoic acid tert-butyl ester Formula: C20H21ClN2O8S MolecularWeight: 484.90734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C=C(C=C1)S(=O)(=O)NC(=O)NC2=C(C=CC(=C2)Cl)C(=O)OC)O

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=C(C=C1)S(=O)(=O)NC(=O)NC2=C(C=CC(=C2)Cl)C(=O)OC)O

InChI

InChI=1S/C20H21ClN2O8S/c1-20(2,3)31-18(26)14-8-6-12(10-16(14)24)32(28,29)23-19(27)22-15-9-11(21)5-7-13(15)17(25)30-4/h5-10,24H,1-4H3,(H2,22,23,27)