sodium (2R)-2-[(2R)-1-(2-nitrophenyl)sulfanylpiperidin-2-yl]-2-phenyl-ethanoate

Systemtic Name: sodium (2R)-2-[(2R)-1-(2-nitrophenyl)sulfanylpiperidin-2-yl]-2-phenyl-ethanoate Openeye Name: sodium (2R)-2-[(2R)-1-(2-nitrophenyl)sulfanyl-2-piperidyl]-2-phenyl-acetate CAS Name: sodium (2R)-2-[(2R)-1-[(2-nitrophenyl)thio]-2-piperidinyl]-2-phenylacetate IUPAC Name: sodium (2R)-2-[(2R)-1-(2-nitrophenyl)sulfanylpiperidin-2-yl]-2-phenylacetate Traditional Name: sodium (2R)-2-[(2R)-1-[(2-nitrophenyl)thio]-2-piperidyl]-2-phenyl-acetate Formula: C19H19N2NaO4S MolecularWeight: 394.41993

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(C2=CC=CC=C2)C(=O)[O-])SC3=CC=CC=C3[N+](=O)[O-].[Na+]

Isomeric SMILES

C1CCN([C@H](C1)[C@@H](C2=CC=CC=C2)C(=O)[O-])SC3=CC=CC=C3[N+](=O)[O-].[Na+]

InChI

InChI=1S/C19H20N2O4S.Na/c22-19(23)18(14-8-2-1-3-9-14)16-11-6-7-13-20(16)26-17-12-5-4-10-15(17)21(24)25;/h1-5,8-10,12,16,18H,6-7,11,13H2,(H,22,23);/q;+1/p-1/t16-,18-;/m1./s1