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

Systemtic Name: (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(2-bromanyl-4-methyl-phenyl)-4-methylsulfonyl-butanamide Openeye Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfonyl-butanamide CAS Name: (2S)-N-(2-bromo-4-methylphenyl)-2-(1,3-dioxo-2-isoindolyl)-4-methylsulfonylbutanamide IUPAC Name: (2S)-N-(2-bromo-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanamide Traditional Name: (2S)-N-(2-bromo-4-methyl-phenyl)-4-mesyl-2-phthalimido-butyramide Formula: C20H19BrN2O5S MolecularWeight: 479.34426

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN2O5S/c1-12-7-8-16(15(21)11-12)22-18(24)17(9-10-29(2,27)28)23-19(25)13-5-3-4-6-14(13)20(23)26/h3-8,11,17H,9-10H2,1-2H3,(H,22,24)/t17-/m0/s1