(2S)-N-(5-acetamido-2-methoxy-phenyl)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfonyl-butanamide

Systemtic Name: (2S)-N-(5-acetamido-2-methoxy-phenyl)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfonyl-butanamide Openeye Name: (2S)-N-(5-acetamido-2-methoxy-phenyl)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfonyl-butanamide CAS Name: (2S)-N-(5-acetamido-2-methoxyphenyl)-2-(1,3-dioxo-2-isoindolyl)-4-methylsulfonylbutanamide IUPAC Name: (2S)-N-(5-acetamido-2-methoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanamide Traditional Name: (2S)-N-(5-acetamido-2-methoxy-phenyl)-4-mesyl-2-phthalimido-butyramide Formula: C22H23N3O7S MolecularWeight: 473.49892

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)C(CCS(=O)(=O)C)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)[C@H](CCS(=O)(=O)C)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H23N3O7S/c1-13(26)23-14-8-9-19(32-2)17(12-14)24-20(27)18(10-11-33(3,30)31)25-21(28)15-6-4-5-7-16(15)22(25)29/h4-9,12,18H,10-11H2,1-3H3,(H,23,26)(H,24,27)/t18-/m0/s1