[(2R)-1-oxidanylidene-1-phenyl-propan-2-yl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-phenyl-propan-2-yl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-phenyl-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [(2R)-1-oxo-1-phenylpropan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-phenylpropan-2-yl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [(1R)-2-keto-1-methyl-2-phenyl-ethyl] ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO5S/c1-16-11-12-19(15-20(16)29(26,27)23-13-7-4-8-14-23)22(25)28-17(2)21(24)18-9-5-3-6-10-18/h3,5-6,9-12,15,17H,4,7-8,13-14H2,1-2H3/t17-/m1/s1