[1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid [1-(3-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chlorophenyl)-1-oxopropan-2-yl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid [2-(3-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H22ClNO6S MolecularWeight: 451.92048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClNO6S/c1-14(20(24)15-6-5-7-17(22)12-15)29-21(25)16-8-9-18(28-2)19(13-16)30(26,27)23-10-3-4-11-23/h5-9,12-14H,3-4,10-11H2,1-2H3