(2S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-4-methylsulfanyl-2-(3-oxidanylidene-1H-isoindol-2-yl)butanamide

Systemtic Name: (2S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-4-methylsulfanyl-2-(3-oxidanylidene-1H-isoindol-2-yl)butanamide Openeye Name: (2S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-4-methylsulfanyl-2-(1-oxoisoindolin-2-yl)butanamide CAS Name: (2S)-N-[4-(1-azepanylsulfonyl)phenyl]-4-(methylthio)-2-(3-oxo-1H-isoindol-2-yl)butanamide IUPAC Name: (2S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-4-methylsulfanyl-2-(3-oxo-1H-isoindol-2-yl)butanamide Traditional Name: (2S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1-ketoisoindolin-2-yl)-4-(methylthio)butyramide Formula: C25H31N3O4S2 MolecularWeight: 501.66134

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

CSCC[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C25H31N3O4S2/c1-33-17-14-23(28-18-19-8-4-5-9-22(19)25(28)30)24(29)26-20-10-12-21(13-11-20)34(31,32)27-15-6-2-3-7-16-27/h4-5,8-13,23H,2-3,6-7,14-18H2,1H3,(H,26,29)/t23-/m0/s1