[(1R)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] 4-(methylsulfonylmethyl)benzoate

Systemtic Name: [(1R)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] 4-(methylsulfonylmethyl)benzoate Openeye Name: [(1R)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl] 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid [(1R)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid [(1R)-2-keto-1-phenyl-2-piperidino-ethyl] ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCCC3

Isomeric SMILES

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)O[C@H](C2=CC=CC=C2)C(=O)N3CCCCC3

InChI

InChI=1S/C22H25NO5S/c1-29(26,27)16-17-10-12-19(13-11-17)22(25)28-20(18-8-4-2-5-9-18)21(24)23-14-6-3-7-15-23/h2,4-5,8-13,20H,3,6-7,14-16H2,1H3/t20-/m1/s1