[(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 4-methylsulfonylbenzoate Openeye Name: [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [(1R)-2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [(1R)-2-keto-1-phenyl-2-pyrrolidino-ethyl] ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5S/c1-27(24,25)17-11-9-16(10-12-17)20(23)26-18(15-7-3-2-4-8-15)19(22)21-13-5-6-14-21/h2-4,7-12,18H,5-6,13-14H2,1H3/t18-/m1/s1