2-[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl]sulfanylbenzoate

Systemtic Name: 2-[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl]sulfanylbenzoate Openeye Name: 2-[(1S)-2-(4-benzyl-1-piperidyl)-1-methyl-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[(2S)-1-oxo-1-[4-(phenylmethyl)-1-piperidinyl]propan-2-yl]thio]benzoate IUPAC Name: 2-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 2-[[(1S)-2-(4-benzylpiperidino)-2-keto-1-methyl-ethyl]thio]benzoate Formula: C22H24NO3S- MolecularWeight: 382.49586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)SC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)N1CCC(CC1)CC2=CC=CC=C2)SC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C22H25NO3S/c1-16(27-20-10-6-5-9-19(20)22(25)26)21(24)23-13-11-18(12-14-23)15-17-7-3-2-4-8-17/h2-10,16,18H,11-15H2,1H3,(H,25,26)/p-1/t16-/m0/s1