[1-[4-(methylsulfonylamino)phenyl]-1-oxidanylidene-propan-2-yl] 4-(3-methylphenoxy)butanoate

Systemtic Name: [1-[4-(methylsulfonylamino)phenyl]-1-oxidanylidene-propan-2-yl] 4-(3-methylphenoxy)butanoate Openeye Name: [2-[4-(methanesulfonamido)phenyl]-1-methyl-2-oxo-ethyl] 4-(3-methylphenoxy)butanoate CAS Name: 4-(3-methylphenoxy)butanoic acid [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-(3-methylphenoxy)butanoate Traditional Name: 4-(3-methylphenoxy)butyric 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(=CC=C1)OCCCC(=O)OC(C)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6S/c1-15-6-4-7-19(14-15)27-13-5-8-20(23)28-16(2)21(24)17-9-11-18(12-10-17)22-29(3,25)26/h4,6-7,9-12,14,16,22H,5,8,13H2,1-3H3