[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C20H22ClNO5S MolecularWeight: 423.91038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO5S/c1-12(2)15-7-5-6-13(3)19(15)22-18(23)11-27-20(24)16-10-14(28(4,25)26)8-9-17(16)21/h5-10,12H,11H2,1-4H3,(H,22,23)