4-[4-[(1R)-2-oxidanidyl-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: 4-[4-[(1R)-2-oxidanidyl-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: 4-[[4-[(1R)-2-oxido-2-oxo-1-phenyl-ethyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[(1R)-2-oxido-2-oxo-1-phenylethyl]-1-piperidinyl]sulfonyl]benzoate IUPAC Name: 4-[4-[(1R)-2-oxido-2-oxo-1-phenylethyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[(1R)-2-keto-2-oxido-1-phenyl-ethyl]piperidino]sulfonylbenzoate Formula: C20H19NO6S-2 MolecularWeight: 401.43296

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(C2=CC=CC=C2)C(=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CN(CCC1[C@H](C2=CC=CC=C2)C(=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C20H21NO6S/c22-19(23)16-6-8-17(9-7-16)28(26,27)21-12-10-15(11-13-21)18(20(24)25)14-4-2-1-3-5-14/h1-9,15,18H,10-13H2,(H,22,23)(H,24,25)/p-2/t18-/m0/s1