tert-butyl 4-[4-[(2-chlorophenyl)sulfamoyl]-2-nitro-phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(2-chlorophenyl)sulfamoyl]-2-nitro-phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(2-chlorophenyl)sulfamoyl]-2-nitro-phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[(2-chlorophenyl)sulfamoyl]-2-nitrophenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(2-chlorophenyl)sulfamoyl]-2-nitrophenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(2-chlorophenyl)sulfamoyl]-2-nitro-phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H25ClN4O6S MolecularWeight: 496.9644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H25ClN4O6S/c1-21(2,3)32-20(27)25-12-10-24(11-13-25)18-9-8-15(14-19(18)26(28)29)33(30,31)23-17-7-5-4-6-16(17)22/h4-9,14,23H,10-13H2,1-3H3