sodium 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: sodium 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: sodium 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: sodium 3-[4-(1-piperidinylsulfonyl)phenyl]propanoate IUPAC Name: sodium 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: sodium 3-(4-piperidinosulfonylphenyl)propionate Formula: C14H18NNaO4S MolecularWeight: 319.35179

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4S.Na/c16-14(17)9-6-12-4-7-13(8-5-12)20(18,19)15-10-2-1-3-11-15;/h4-5,7-8H,1-3,6,9-11H2,(H,16,17);/q;+1/p-1