(3S)-1-[3,5-bis(chloranyl)-2-oxidanidyl-phenyl]sulfonylpiperidine-3-carboxylate

Systemtic Name: (3S)-1-[3,5-bis(chloranyl)-2-oxidanidyl-phenyl]sulfonylpiperidine-3-carboxylate Openeye Name: (3S)-1-(3,5-dichloro-2-oxido-phenyl)sulfonylpiperidine-3-carboxylate CAS Name: (3S)-1-(3,5-dichloro-2-oxidophenyl)sulfonyl-3-piperidinecarboxylate IUPAC Name: (3S)-1-(3,5-dichloro-2-oxidophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-(3,5-dichloro-2-oxido-phenyl)sulfonylnipecotate Formula: C12H11Cl2NO5S-2 MolecularWeight: 352.19044

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC(=CC(=C2[O-])Cl)Cl)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC(=CC(=C2[O-])Cl)Cl)C(=O)[O-]

InChI

InChI=1S/C12H13Cl2NO5S/c13-8-4-9(14)11(16)10(5-8)21(19,20)15-3-1-2-7(6-15)12(17)18/h4-5,7,16H,1-3,6H2,(H,17,18)/p-2/t7-/m0/s1