(4S)-1-(3-methylsulfanylphenyl)-4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbonyl-pyrrolidin-2-one

Systemtic Name: (4S)-1-(3-methylsulfanylphenyl)-4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbonyl-pyrrolidin-2-one Openeye Name: (4S)-4-(4-benzylsulfonylpiperazine-1-carbonyl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one CAS Name: (4S)-1-[3-(methylthio)phenyl]-4-[oxo-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]-2-pyrrolidinone IUPAC Name: (4S)-4-(4-benzylsulfonylpiperazine-1-carbonyl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one Traditional Name: (4S)-4-(4-benzylsulfonylpiperazine-1-carbonyl)-1-[3-(methylthio)phenyl]-2-pyrrolidone Formula: C23H27N3O4S2 MolecularWeight: 473.60818

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)N2CC(CC2=O)C(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CSC1=CC=CC(=C1)N2C[C@H](CC2=O)C(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O4S2/c1-31-21-9-5-8-20(15-21)26-16-19(14-22(26)27)23(28)24-10-12-25(13-11-24)32(29,30)17-18-6-3-2-4-7-18/h2-9,15,19H,10-14,16-17H2,1H3/t19-/m0/s1