[(2R)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(1-piperidyl)ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [(2R)-1-oxo-1-(1-piperidinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [(1R)-2-keto-1-methyl-2-piperidino-ethyl] ester Formula: C16H20ClNO5S MolecularWeight: 373.8517

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCC1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl

Isomeric SMILES

C[C@H](C(=O)N1CCCCC1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C16H20ClNO5S/c1-11(15(19)18-8-4-3-5-9-18)23-16(20)13-10-12(24(2,21)22)6-7-14(13)17/h6-7,10-11H,3-5,8-9H2,1-2H3/t11-/m1/s1