[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 4-chloranyl-3-methylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 4-chloranyl-3-methylsulfonyl-benzoate Openeye Name: [2-(N-isopropylanilino)-2-oxo-ethyl] 4-chloro-3-methylsulfonyl-benzoate CAS Name: 4-chloro-3-methylsulfonylbenzoic acid [2-oxo-2-(N-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-chloro-3-methylsulfonylbenzoate Traditional Name: 4-chloro-3-mesyl-benzoic acid [2-(N-isopropylanilino)-2-keto-ethyl] ester Formula: C19H20ClNO5S MolecularWeight: 409.8838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C19H20ClNO5S/c1-13(2)21(15-7-5-4-6-8-15)18(22)12-26-19(23)14-9-10-16(20)17(11-14)27(3,24)25/h4-11,13H,12H2,1-3H3