[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-[(3-chlorophenyl)-methylsulfonyl-amino]ethanoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-[(3-chlorophenyl)-methylsulfonyl-amino]ethanoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 2-(3-chloro-N-methylsulfonyl-anilino)acetate CAS Name: 2-(3-chloro-N-methylsulfonylanilino)acetic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(3-chloro-N-methylsulfonylanilino)acetate Traditional Name: 2-(3-chloro-N-mesyl-anilino)acetic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C19H20ClNO5S MolecularWeight: 409.8838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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