2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(2-methyl-5-methylsulfonyl-phenyl)-4-methylsulfanyl-butanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(2-methyl-5-methylsulfonyl-phenyl)-4-methylsulfanyl-butanamide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-N-(2-methyl-5-methylsulfonyl-phenyl)-4-methylsulfanyl-butanamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-N-(2-methyl-5-methylsulfonylphenyl)-4-(methylthio)butanamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-methylsulfonylphenyl)-4-methylsulfanylbutanamide Traditional Name: N-(5-mesyl-2-methyl-phenyl)-4-(methylthio)-2-phthalimido-butyramide Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H22N2O5S2/c1-13-8-9-14(30(3,27)28)12-17(13)22-19(24)18(10-11-29-2)23-20(25)15-6-4-5-7-16(15)21(23)26/h4-9,12,18H,10-11H2,1-3H3,(H,22,24)