tert-butyl 4-(6-chloranyl-3-nitro-2-oxidanyl-phenyl)sulfonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(6-chloranyl-3-nitro-2-oxidanyl-phenyl)sulfonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(6-chloro-2-hydroxy-3-nitro-phenyl)sulfonylpiperazine-1-carboxylate CAS Name: 4-(6-chloro-2-hydroxy-3-nitrophenyl)sulfonyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-chloro-2-hydroxy-3-nitrophenyl)sulfonylpiperazine-1-carboxylate Traditional Name: 4-(6-chloro-2-hydroxy-3-nitro-phenyl)sulfonylpiperazine-1-carboxylic acid tert-butyl ester Formula: C15H20ClN3O7S MolecularWeight: 421.8532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2O)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2O)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H20ClN3O7S/c1-15(2,3)26-14(21)17-6-8-18(9-7-17)27(24,25)13-10(16)4-5-11(12(13)20)19(22)23/h4-5,20H,6-9H2,1-3H3