[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: 2-(benzenesulfonamido)-3-methylbutanoic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: 2-(benzenesulfonamido)-3-methyl-butyric acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C(C(C)C)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)C(C(C)C)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H25NO5S/c1-4-16-10-12-17(13-11-16)19(23)14-27-21(24)20(15(2)3)22-28(25,26)18-8-6-5-7-9-18/h5-13,15,20,22H,4,14H2,1-3H3