[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 3-(phenylsulfonylamino)propanoate

Systemtic Name: [2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 3-(phenylsulfonylamino)propanoate Openeye Name: [2-(2,4-dimethylphenyl)-2-oxo-ethyl] 3-(benzenesulfonamido)propanoate CAS Name: 3-(benzenesulfonamido)propanoic acid [2-(2,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-2-oxoethyl] 3-(benzenesulfonamido)propanoate Traditional Name: 3-(benzenesulfonamido)propionic acid [2-(2,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C19H21NO5S/c1-14-8-9-17(15(2)12-14)18(21)13-25-19(22)10-11-20-26(23,24)16-6-4-3-5-7-16/h3-9,12,20H,10-11,13H2,1-2H3