[(2S)-1-(2,4-dimethoxyphenyl)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [(2S)-1-(2,4-dimethoxyphenyl)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [(1S)-2-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-ethyl] 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [(2S)-1-(2,4-dimethoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,4-dimethoxyphenyl)-1-oxopropan-2-yl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid [(1S)-2-(2,4-dimethoxyphenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H24ClNO7S MolecularWeight: 481.94646

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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)Cl)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)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H24ClNO7S/c1-14(21(25)17-8-7-16(29-2)13-19(17)30-3)31-22(26)15-6-9-18(23)20(12-15)32(27,28)24-10-4-5-11-24/h6-9,12-14H,4-5,10-11H2,1-3H3/t14-/m0/s1