[1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2-[(4-chlorophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: [1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2-[(4-chlorophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: [2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] 2-[(4-chlorophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-chlorophenyl)sulfonyl-methylamino]acetic acid [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-chlorophenyl)sulfonyl-methyl-amino]acetic acid [2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C20H22ClNO5S MolecularWeight: 423.91038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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