[1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-methylsulfonyl-benzoate

Systemtic Name: [1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-methylsulfonyl-benzoate Openeye Name: [2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl] 4-chloro-3-methylsulfonyl-benzoate CAS Name: 4-chloro-3-methylsulfonylbenzoic acid [1-(2,6-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-chloro-3-methylsulfonylbenzoate Traditional Name: 4-chloro-3-mesyl-benzoic acid [2-(2,6-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H20ClNO5S MolecularWeight: 409.8838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C(C)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C19H20ClNO5S/c1-11-6-5-7-12(2)17(11)21-18(22)13(3)26-19(23)14-8-9-15(20)16(10-14)27(4,24)25/h5-10,13H,1-4H3,(H,21,22)