(2S)-4-methylsulfanyl-2-(3-oxidanylidene-1H-isoindol-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide

Systemtic Name: (2S)-4-methylsulfanyl-2-(3-oxidanylidene-1H-isoindol-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide Openeye Name: (2S)-4-methylsulfanyl-2-(1-oxoisoindolin-2-yl)-N-[4-(1-piperidylsulfonyl)phenyl]butanamide CAS Name: (2S)-4-(methylthio)-2-(3-oxo-1H-isoindol-2-yl)-N-[4-(1-piperidinylsulfonyl)phenyl]butanamide IUPAC Name: (2S)-4-methylsulfanyl-2-(3-oxo-1H-isoindol-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide Traditional Name: (2S)-2-(1-ketoisoindolin-2-yl)-4-(methylthio)-N-(4-piperidinosulfonylphenyl)butyramide Formula: C24H29N3O4S2 MolecularWeight: 487.63476

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

CSCC[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C24H29N3O4S2/c1-32-16-13-22(27-17-18-7-3-4-8-21(18)24(27)29)23(28)25-19-9-11-20(12-10-19)33(30,31)26-14-5-2-6-15-26/h3-4,7-12,22H,2,5-6,13-17H2,1H3,(H,25,28)/t22-/m0/s1