tert-butyl 4-(1-oxidanidylpyridin-1-ium-2-yl)sulfonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(1-oxidanidylpyridin-1-ium-2-yl)sulfonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(1-oxidopyridin-1-ium-2-yl)sulfonylpiperazine-1-carboxylate CAS Name: 4-[(1-oxido-2-pyridin-1-iumyl)sulfonyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1-oxidopyridin-1-ium-2-yl)sulfonylpiperazine-1-carboxylate Traditional Name: 4-(1-oxidopyridin-1-ium-2-yl)sulfonylpiperazine-1-carboxylic acid tert-butyl ester Formula: C14H21N3O5S MolecularWeight: 343.39864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C14H21N3O5S/c1-14(2,3)22-13(18)15-8-10-16(11-9-15)23(20,21)12-6-4-5-7-17(12)19/h4-7H,8-11H2,1-3H3