(2R)-2-(2,4-dimethylphenyl)sulfanyl-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one

Systemtic Name: (2R)-2-(2,4-dimethylphenyl)sulfanyl-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one Openeye Name: (2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2,4-dimethylphenyl)sulfanyl-propan-1-one CAS Name: (2R)-1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[(2,4-dimethylphenyl)thio]-1-propanone IUPAC Name: (2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2,4-dimethylphenyl)sulfanylpropan-1-one Traditional Name: (2R)-1-(4-besylpiperazino)-2-[(2,4-dimethylphenyl)thio]propan-1-one Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S2/c1-16-9-10-20(17(2)15-16)27-18(3)21(24)22-11-13-23(14-12-22)28(25,26)19-7-5-4-6-8-19/h4-10,15,18H,11-14H2,1-3H3/t18-/m1/s1