[(2R)-1-(2,4-dimethoxyphenyl)-1-oxidanylidene-propan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [(2R)-1-(2,4-dimethoxyphenyl)-1-oxidanylidene-propan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [(1R)-2-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [(2R)-1-(2,4-dimethoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,4-dimethoxyphenyl)-1-oxopropan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [(1R)-2-(2,4-dimethoxyphenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H25NO7S MolecularWeight: 447.5014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO7S/c1-15(21(24)19-11-8-17(28-2)14-20(19)29-3)30-22(25)16-6-9-18(10-7-16)31(26,27)23-12-4-5-13-23/h6-11,14-15H,4-5,12-13H2,1-3H3/t15-/m1/s1