3-cyclohexyl-2-(7-methylsulfonyl-3-oxidanylidene-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)propanamide

Systemtic Name: 3-cyclohexyl-2-(7-methylsulfonyl-3-oxidanylidene-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)propanamide Openeye Name: 3-cyclohexyl-2-(4-methylsulfonyl-1-oxo-isoindolin-2-yl)-N-thiazol-2-yl-propanamide CAS Name: 3-cyclohexyl-2-(7-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(2-thiazolyl)propanamide IUPAC Name: 3-cyclohexyl-2-(7-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)propanamide Traditional Name: 3-cyclohexyl-2-(1-keto-4-mesyl-isoindolin-2-yl)-N-thiazol-2-yl-propionamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC2=C1CN(C2=O)C(CC3CCCCC3)C(=O)NC4=NC=CS4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC2=C1CN(C2=O)C(CC3CCCCC3)C(=O)NC4=NC=CS4

InChI

InChI=1S/C21H25N3O4S2/c1-30(27,28)18-9-5-8-15-16(18)13-24(20(15)26)17(12-14-6-3-2-4-7-14)19(25)23-21-22-10-11-29-21/h5,8-11,14,17H,2-4,6-7,12-13H2,1H3,(H,22,23,25)