1-[2,5-bis(chloranyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: 1-[2,5-bis(chloranyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: 1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,5-dichlorophenyl)sulfonyl-4-piperidinecarboxylate IUPAC Name: 1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2,5-dichlorophenyl)sulfonylisonipecotate Formula: C12H12Cl2NO4S- MolecularWeight: 337.19898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)[O-])S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl

Isomeric SMILES

C1CN(CCC1C(=O)[O-])S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl

InChI

InChI=1S/C12H13Cl2NO4S/c13-9-1-2-10(14)11(7-9)20(18,19)15-5-3-8(4-6-15)12(16)17/h1-2,7-8H,3-6H2,(H,16,17)/p-1