tert-butyl (2R)-1-methyl-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium-2-carboxylate

Systemtic Name: tert-butyl (2R)-1-methyl-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium-2-carboxylate Openeye Name: tert-butyl (2R)-1-methyl-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium-2-carboxylate CAS Name: (2R)-1-methyl-4-(4-nitrophenyl)sulfonyl-2-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-1-methyl-4-(4-nitrophenyl)sulfonylpiperazin-1-ium-2-carboxylate Traditional Name: (2R)-1-methyl-4-nosyl-piperazin-1-ium-2-carboxylic acid tert-butyl ester Formula: C16H24N3O6S+ MolecularWeight: 386.44326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CN(CC[NH+]1C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)[C@H]1CN(CC[NH+]1C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O6S/c1-16(2,3)25-15(20)14-11-18(10-9-17(14)4)26(23,24)13-7-5-12(6-8-13)19(21)22/h5-8,14H,9-11H2,1-4H3/p+1/t14-/m1/s1