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

Systemtic Name: (3S)-1-[2,5-bis(chloranyl)phenyl]sulfonylpiperidine-3-carboxylate Openeye Name: (3S)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: (3S)-1-(2,5-dichlorophenyl)sulfonyl-3-piperidinecarboxylate IUPAC Name: (3S)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-(2,5-dichlorophenyl)sulfonylnipecotate Formula: C12H12Cl2NO4S- MolecularWeight: 337.19898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13Cl2NO4S/c13-9-3-4-10(14)11(6-9)20(18,19)15-5-1-2-8(7-15)12(16)17/h3-4,6,8H,1-2,5,7H2,(H,16,17)/p-1/t8-/m0/s1