[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 4-(3-methylphenoxy)butanoate

Systemtic Name: [2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 4-(3-methylphenoxy)butanoate Openeye Name: [2-(3-methylsulfonylanilino)-2-oxo-ethyl] 4-(3-methylphenoxy)butanoate CAS Name: 4-(3-methylphenoxy)butanoic acid [2-(3-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfonylanilino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate Traditional Name: 4-(3-methylphenoxy)butyric acid [2-keto-2-(3-mesylanilino)ethyl] ester Formula: C20H23NO6S MolecularWeight: 405.46472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C20H23NO6S/c1-15-6-3-8-17(12-15)26-11-5-10-20(23)27-14-19(22)21-16-7-4-9-18(13-16)28(2,24)25/h3-4,6-9,12-13H,5,10-11,14H2,1-2H3,(H,21,22)