1-(4-chloranyl-3-nitro-phenyl)sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(4-chloranyl-3-nitro-phenyl)sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-(4-chloro-3-nitro-phenyl)sulfonylpiperidine-4-carboxylic acid CAS Name: 1-(4-chloro-3-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-(4-chloro-3-nitrophenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-(4-chloro-3-nitro-phenyl)sulfonylisonipecotic acid Formula: C12H13ClN2O6S MolecularWeight: 348.75942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN2O6S/c13-10-2-1-9(7-11(10)15(18)19)22(20,21)14-5-3-8(4-6-14)12(16)17/h1-2,7-8H,3-6H2,(H,16,17)