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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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