(2S)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanyl-propan-1-one

Systemtic Name: (2S)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanyl-propan-1-one Openeye Name: (2S)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanyl-propan-1-one CAS Name: (2S)-1-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-(phenylthio)-1-propanone IUPAC Name: (2S)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylpropan-1-one Traditional Name: (2S)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-2-(phenylthio)propan-1-one Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C(C)SC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)[C@H](C)SC3=CC=CC=C3)C

InChI

InChI=1S/C21H26N2O3S2/c1-16-9-10-20(17(2)15-16)28(25,26)23-13-11-22(12-14-23)21(24)18(3)27-19-7-5-4-6-8-19/h4-10,15,18H,11-14H2,1-3H3/t18-/m0/s1