tert-butyl 4-[2,6-bis(chloranyl)-3-nitro-phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2,6-bis(chloranyl)-3-nitro-phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(2,6-dichloro-3-nitro-phenyl)sulfonylpiperazine-1-carboxylate CAS Name: 4-(2,6-dichloro-3-nitrophenyl)sulfonyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2,6-dichloro-3-nitrophenyl)sulfonylpiperazine-1-carboxylate Traditional Name: 4-(2,6-dichloro-3-nitro-phenyl)sulfonylpiperazine-1-carboxylic acid tert-butyl ester Formula: C15H19Cl2N3O6S MolecularWeight: 440.29886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2Cl)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H19Cl2N3O6S/c1-15(2,3)26-14(21)18-6-8-19(9-7-18)27(24,25)13-10(16)4-5-11(12(13)17)20(22)23/h4-5H,6-9H2,1-3H3