(3S)-1-(4-nitrophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: (3S)-1-(4-nitrophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: (3S)-1-(4-nitrophenyl)sulfonylpiperidine-3-carboxylate CAS Name: (3S)-1-(4-nitrophenyl)sulfonyl-3-piperidinecarboxylate IUPAC Name: (3S)-1-(4-nitrophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-nosylnipecotate Formula: C12H13N2O6S- MolecularWeight: 313.30642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O6S/c15-12(16)9-2-1-7-13(8-9)21(19,20)11-5-3-10(4-6-11)14(17)18/h3-6,9H,1-2,7-8H2,(H,15,16)/p-1/t9-/m0/s1