2-(2-ethanoylphenoxy)ethyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: 2-(2-ethanoylphenoxy)ethyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: 2-(2-acetylphenoxy)ethyl 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid 2-(2-acetylphenoxy)ethyl ester IUPAC Name: 2-(2-acetylphenoxy)ethyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid 2-(2-acetylphenoxy)ethyl ester Formula: C21H22ClNO6S MolecularWeight: 451.92048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1OCCOC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(=O)C1=CC=CC=C1OCCOC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H22ClNO6S/c1-15(24)17-6-2-3-7-19(17)28-12-13-29-21(25)16-8-9-18(22)20(14-16)30(26,27)23-10-4-5-11-23/h2-3,6-9,14H,4-5,10-13H2,1H3