sodium 3-[2-[(2R)-1-(2-phenoxyethanoyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzoate

Systemtic Name: sodium 3-[2-[(2R)-1-(2-phenoxyethanoyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzoate Openeye Name: sodium 3-[2-[(2R)-1-(2-phenoxyacetyl)-2-piperidyl]thiazol-4-yl]benzoate CAS Name: sodium 3-[2-[(2R)-1-(1-oxo-2-phenoxyethyl)-2-piperidinyl]-4-thiazolyl]benzoate IUPAC Name: sodium 3-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzoate Traditional Name: sodium 3-[2-[(2R)-1-(2-phenoxyacetyl)-2-piperidyl]thiazol-4-yl]benzoate Formula: C23H21N2NaO4S MolecularWeight: 444.47861

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=NC(=CS2)C3=CC(=CC=C3)C(=O)[O-])C(=O)COC4=CC=CC=C4.[Na+]

Isomeric SMILES

C1CCN([C@H](C1)C2=NC(=CS2)C3=CC(=CC=C3)C(=O)[O-])C(=O)COC4=CC=CC=C4.[Na+]

InChI

InChI=1S/C23H22N2O4S.Na/c26-21(14-29-18-9-2-1-3-10-18)25-12-5-4-11-20(25)22-24-19(15-30-22)16-7-6-8-17(13-16)23(27)28;/h1-3,6-10,13,15,20H,4-5,11-12,14H2,(H,27,28);/q;+1/p-1/t20-;/m1./s1