[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-methylsulfanyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-methylsulfanyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] 2-(benzenesulfonamido)-4-methylsulfanyl-butanoate CAS Name: 2-(benzenesulfonamido)-4-(methylthio)butanoic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(benzenesulfonamido)-4-methylsulfanylbutanoate Traditional Name: 2-(benzenesulfonamido)-4-(methylthio)butyric acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C(CCSC)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C(CCSC)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O5S2/c1-15-8-7-9-16(2)20(15)22-19(24)14-28-21(25)18(12-13-29-3)23-30(26,27)17-10-5-4-6-11-17/h4-11,18,23H,12-14H2,1-3H3,(H,22,24)