[(1R)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [(1R)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [(1R)-2-methoxy-2-oxo-1-phenyl-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [(1R)-2-methoxy-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-methoxy-2-oxo-1-phenylethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [(1R)-2-keto-2-methoxy-1-phenyl-ethyl] ester Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO6S/c1-26-20(23)18(15-8-3-2-4-9-15)27-19(22)16-10-7-11-17(14-16)28(24,25)21-12-5-6-13-21/h2-4,7-11,14,18H,5-6,12-13H2,1H3/t18-/m1/s1