sodium 5-nitro-2-piperidin-1-yl-benzenesulfonate

Systemtic Name: sodium 5-nitro-2-piperidin-1-yl-benzenesulfonate Openeye Name: sodium 5-nitro-2-(1-piperidyl)benzenesulfonate CAS Name: sodium 5-nitro-2-(1-piperidinyl)benzenesulfonate IUPAC Name: sodium 5-nitro-2-piperidin-1-ylbenzenesulfonate Traditional Name: sodium 5-nitro-2-piperidino-besylate Formula: C11H13N2NaO5S MolecularWeight: 308.28609

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C11H14N2O5S.Na/c14-13(15)9-4-5-10(11(8-9)19(16,17)18)12-6-2-1-3-7-12;/h4-5,8H,1-3,6-7H2,(H,16,17,18);/q;+1/p-1