[1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylsulfanyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylsulfanyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-(benzenesulfonamido)-4-methylsulfanyl-butanoate CAS Name: 2-(benzenesulfonamido)-4-(methylthio)butanoic acid [1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-(benzenesulfonamido)-4-methylsulfanylbutanoate Traditional Name: 2-(benzenesulfonamido)-4-(methylthio)butyric acid [2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)OC(=O)C(CCSC)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C#N)OC(=O)C(CCSC)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H23N3O5S2/c1-15(20(25)23-17-10-8-16(14-22)9-11-17)29-21(26)19(12-13-30-2)24-31(27,28)18-6-4-3-5-7-18/h3-11,15,19,24H,12-13H2,1-2H3,(H,23,25)