[(2R)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [(2R)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [(1R)-2-(4-ethoxyphenyl)-1-methyl-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [(1R)-2-keto-1-methyl-2-p-phenetyl-ethyl] ester Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@@H](C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H25NO6S/c1-3-28-19-11-9-17(10-12-19)21(24)16(2)29-22(25)18-7-6-8-20(15-18)30(26,27)23-13-4-5-14-23/h6-12,15-16H,3-5,13-14H2,1-2H3/t16-/m1/s1