[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C19H20ClNO5S MolecularWeight: 409.8838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl

InChI

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