2-(2,5-dimethylphenyl)sulfanyl-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(2,5-dimethylphenyl)sulfanyl-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(2,5-dimethylphenyl)sulfanyl-ethanone CAS Name: 2-[(2,5-dimethylphenyl)thio]-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(2,5-dimethylphenyl)sulfanylethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-[(2,5-dimethylphenyl)thio]ethanone Formula: C21H26N2O3S2 MolecularWeight: 418.57274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S2/c1-17-8-9-18(2)20(14-17)27-15-21(24)22-10-12-23(13-11-22)28(25,26)16-19-6-4-3-5-7-19/h3-9,14H,10-13,15-16H2,1-2H3