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

Systemtic Name: (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4-ethylphenyl)-4-methylsulfonyl-butanamide Openeye Name: (2S)-2-(1,3-dioxoisoindolin-2-yl)-N-(4-ethylphenyl)-4-methylsulfonyl-butanamide CAS Name: (2S)-2-(1,3-dioxo-2-isoindolyl)-N-(4-ethylphenyl)-4-methylsulfonylbutanamide IUPAC Name: (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(4-ethylphenyl)-4-methylsulfonylbutanamide Traditional Name: (2S)-N-(4-ethylphenyl)-4-mesyl-2-phthalimido-butyramide Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(CCS(=O)(=O)C)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](CCS(=O)(=O)C)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H22N2O5S/c1-3-14-8-10-15(11-9-14)22-19(24)18(12-13-29(2,27)28)23-20(25)16-6-4-5-7-17(16)21(23)26/h4-11,18H,3,12-13H2,1-2H3,(H,22,24)/t18-/m0/s1