N-[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(2-methyl-1,3-dioxo-isoindolin-5-yl)butanamide CAS Name: N-(2-methyl-1,3-dioxo-5-isoindolyl)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)butanamide Traditional Name: 4-benzylsulfonyl-N-(1,3-diketo-2-methyl-isoindolin-5-yl)butyramide Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O5S/c1-22-19(24)16-10-9-15(12-17(16)20(22)25)21-18(23)8-5-11-28(26,27)13-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3,(H,21,23)