[(2S)-1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [(2S)-1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [(1S)-2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [(1S)-2-(4-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C20H20ClNO5S MolecularWeight: 421.8945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClNO5S/c1-14(19(23)15-4-8-17(21)9-5-15)27-20(24)16-6-10-18(11-7-16)28(25,26)22-12-2-3-13-22/h4-11,14H,2-3,12-13H2,1H3/t14-/m0/s1