(2R)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide

Systemtic Name: (2R)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide Openeye Name: (2R)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide CAS Name: (2R)-2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]butanamide IUPAC Name: (2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide Traditional Name: (2R)-4-(methylthio)-2-phthalimido-N-(4-pyrrolidinosulfonylphenyl)butyramide Formula: C23H25N3O5S2 MolecularWeight: 487.5917

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CSCC[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H25N3O5S2/c1-32-15-12-20(26-22(28)18-6-2-3-7-19(18)23(26)29)21(27)24-16-8-10-17(11-9-16)33(30,31)25-13-4-5-14-25/h2-3,6-11,20H,4-5,12-15H2,1H3,(H,24,27)/t20-/m1/s1