(2R)-2-[(2R)-1-(2-nitrophenyl)sulfanylpiperidin-2-yl]-2-phenyl-ethanoic acid

Systemtic Name: (2R)-2-[(2R)-1-(2-nitrophenyl)sulfanylpiperidin-2-yl]-2-phenyl-ethanoic acid Openeye Name: (2R)-2-[(2R)-1-(2-nitrophenyl)sulfanyl-2-piperidyl]-2-phenyl-acetic acid CAS Name: (2R)-2-[(2R)-1-[(2-nitrophenyl)thio]-2-piperidinyl]-2-phenylacetic acid IUPAC Name: (2R)-2-[(2R)-1-(2-nitrophenyl)sulfanylpiperidin-2-yl]-2-phenylacetic acid Traditional Name: (2R)-2-[(2R)-1-[(2-nitrophenyl)thio]-2-piperidyl]-2-phenyl-acetic acid Formula: C19H20N2O4S MolecularWeight: 372.4381

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4S/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)/t16-,18-/m1/s1