tert-butyl 4-(4-methylsulfonyl-2-nitro-phenyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(4-methylsulfonyl-2-nitro-phenyl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(4-methylsulfonyl-2-nitro-phenyl)piperazine-1-carboxylate CAS Name: 4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-methylsulfonyl-2-nitrophenyl)piperazine-1-carboxylate Traditional Name: 4-(4-mesyl-2-nitro-phenyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C16H23N3O6S MolecularWeight: 385.43532

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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)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O6S/c1-16(2,3)25-15(20)18-9-7-17(8-10-18)13-6-5-12(26(4,23)24)11-14(13)19(21)22/h5-6,11H,7-10H2,1-4H3