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

Systemtic Name: N-(3-acetamido-2-methyl-phenyl)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfonyl-butanamide Openeye Name: N-(3-acetamido-2-methyl-phenyl)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfonyl-butanamide CAS Name: N-(3-acetamido-2-methylphenyl)-2-(1,3-dioxo-2-isoindolyl)-4-methylsulfonylbutanamide IUPAC Name: N-(3-acetamido-2-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanamide Traditional Name: N-(3-acetamido-2-methyl-phenyl)-4-mesyl-2-phthalimido-butyramide Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O6S/c1-13-17(23-14(2)26)9-6-10-18(13)24-20(27)19(11-12-32(3,30)31)25-21(28)15-7-4-5-8-16(15)22(25)29/h4-10,19H,11-12H2,1-3H3,(H,23,26)(H,24,27)