tert-butyl 2-[(4-chloranyl-2-oxidanyl-3-sulfamoyl-phenyl)amino]piperazine-1-carboxylate

Systemtic Name: tert-butyl 2-[(4-chloranyl-2-oxidanyl-3-sulfamoyl-phenyl)amino]piperazine-1-carboxylate Openeye Name: tert-butyl 2-(4-chloro-2-hydroxy-3-sulfamoyl-anilino)piperazine-1-carboxylate CAS Name: 2-(4-chloro-2-hydroxy-3-sulfamoylanilino)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-chloro-2-hydroxy-3-sulfamoylanilino)piperazine-1-carboxylate Traditional Name: 2-(4-chloro-2-hydroxy-3-sulfamoyl-anilino)piperazine-1-carboxylic acid tert-butyl ester Formula: C15H23ClN4O5S MolecularWeight: 406.88492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCNCC1NC2=C(C(=C(C=C2)Cl)S(=O)(=O)N)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCNCC1NC2=C(C(=C(C=C2)Cl)S(=O)(=O)N)O

InChI

InChI=1S/C15H23ClN4O5S/c1-15(2,3)25-14(22)20-7-6-18-8-11(20)19-10-5-4-9(16)13(12(10)21)26(17,23)24/h4-5,11,18-19,21H,6-8H2,1-3H3,(H2,17,23,24)