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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(CCS(=O)(=O)C)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)[C@H](CCS(=O)(=O)C)N2C(=O)C3=CC=CC=C3C2=O

InChI

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