4-[(3S)-3-azaniumylpiperidin-1-yl]sulfonyl-2-nitro-phenolate

Systemtic Name: 4-[(3S)-3-azaniumylpiperidin-1-yl]sulfonyl-2-nitro-phenolate Openeye Name: 4-[[(3S)-3-azaniumyl-1-piperidyl]sulfonyl]-2-nitro-phenolate CAS Name: 4-[[(3S)-3-ammonio-1-piperidinyl]sulfonyl]-2-nitrophenolate IUPAC Name: 4-[(3S)-3-azaniumylpiperidin-1-yl]sulfonyl-2-nitrophenolate Traditional Name: 4-[(3S)-3-ammoniopiperidino]sulfonyl-2-nitro-phenolate Formula: C11H15N3O5S MolecularWeight: 301.3189

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)[O-])[N+](=O)[O-])[NH3+]

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC(=C(C=C2)[O-])[N+](=O)[O-])[NH3+]

InChI

InChI=1S/C11H15N3O5S/c12-8-2-1-5-13(7-8)20(18,19)9-3-4-11(15)10(6-9)14(16)17/h3-4,6,8,15H,1-2,5,7,12H2/t8-/m0/s1