[2-[[2,6-bis(chloranyl)-3-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-[[2,6-bis(chloranyl)-3-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-(2,6-dichloro-3-methyl-anilino)-2-oxo-ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-(2,6-dichloro-3-methyl-anilino)-2-keto-ethyl] ester Formula: C18H17Cl2NO5S MolecularWeight: 430.30228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)NC2=C(C=CC(=C2Cl)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)NC2=C(C=CC(=C2Cl)C)Cl

InChI

InChI=1S/C18H17Cl2NO5S/c1-10-4-6-12(27(3,24)25)8-13(10)18(23)26-9-15(22)21-17-14(19)7-5-11(2)16(17)20/h4-8H,9H2,1-3H3,(H,21,22)