[(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [(1R)-2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [(1R)-2-keto-1-phenyl-2-pyrrolidino-ethyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)O[C@H](C2=CC=CC=C2)C(=O)N3CCCC3

InChI

InChI=1S/C21H23NO5S/c1-15-10-11-17(28(2,25)26)14-18(15)21(24)27-19(16-8-4-3-5-9-16)20(23)22-12-6-7-13-22/h3-5,8-11,14,19H,6-7,12-13H2,1-2H3/t19-/m1/s1