(2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4-methylphenyl)-4-methylsulfonyl-butanamide

Systemtic Name: (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4-methylphenyl)-4-methylsulfonyl-butanamide Openeye Name: (2S)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfonyl-N-(p-tolyl)butanamide CAS Name: (2S)-2-(1,3-dioxo-2-isoindolyl)-N-(4-methylphenyl)-4-methylsulfonylbutanamide IUPAC Name: (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)-4-methylsulfonylbutanamide Traditional Name: (2S)-4-mesyl-2-phthalimido-N-(p-tolyl)butyramide Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](CCS(=O)(=O)C)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H20N2O5S/c1-13-7-9-14(10-8-13)21-18(23)17(11-12-28(2,26)27)22-19(24)15-5-3-4-6-16(15)20(22)25/h3-10,17H,11-12H2,1-2H3,(H,21,23)/t17-/m0/s1