[1-[4-(methylsulfonylamino)phenyl]-1-oxidanylidene-propan-2-yl] 3-(2,5-dimethylphenoxy)propanoate

Systemtic Name: [1-[4-(methylsulfonylamino)phenyl]-1-oxidanylidene-propan-2-yl] 3-(2,5-dimethylphenoxy)propanoate Openeye Name: [2-[4-(methanesulfonamido)phenyl]-1-methyl-2-oxo-ethyl] 3-(2,5-dimethylphenoxy)propanoate CAS Name: 3-(2,5-dimethylphenoxy)propanoic acid [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-(2,5-dimethylphenoxy)propanoate Traditional Name: 3-(2,5-dimethylphenoxy)propionic acid [2-keto-2-[4-(methanesulfonamido)phenyl]-1-methyl-ethyl] ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCC(=O)OC(C)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCC(=O)OC(C)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C

InChI

InChI=1S/C21H25NO6S/c1-14-5-6-15(2)19(13-14)27-12-11-20(23)28-16(3)21(24)17-7-9-18(10-8-17)22-29(4,25)26/h5-10,13,16,22H,11-12H2,1-4H3