1-(3-nitrophenyl)sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(3-nitrophenyl)sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-(3-nitrophenyl)sulfonylpiperidine-4-carboxylic acid CAS Name: 1-(3-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-(3-nitrophenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-(3-nitrophenyl)sulfonylisonipecotic acid Formula: C12H14N2O6S MolecularWeight: 314.31436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O6S/c15-12(16)9-4-6-13(7-5-9)21(19,20)11-3-1-2-10(8-11)14(17)18/h1-3,8-9H,4-7H2,(H,15,16)