[1-[1-(2,4-dichlorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 3-methylsulfonylbenzoate

Systemtic Name: [1-[1-(2,4-dichlorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 3-methylsulfonylbenzoate Openeye Name: [2-[1-(2,4-dichlorophenyl)ethylamino]-1-methyl-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [1-[1-(2,4-dichlorophenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[1-(2,4-dichlorophenyl)ethylamino]-1-oxopropan-2-yl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-[1-(2,4-dichlorophenyl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C19H19Cl2NO5S MolecularWeight: 444.32886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19Cl2NO5S/c1-11(16-8-7-14(20)10-17(16)21)22-18(23)12(2)27-19(24)13-5-4-6-15(9-13)28(3,25)26/h4-12H,1-3H3,(H,22,23)