1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-(2-chloro-5-nitro-phenyl)sulfonylpiperidine-4-carboxylic acid CAS Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-(2-chloro-5-nitrophenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-(2-chloro-5-nitro-phenyl)sulfonylisonipecotic acid Formula: C12H13ClN2O6S MolecularWeight: 348.75942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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