2-[(4-methylphenyl)methylsulfanyl]-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(p-tolylmethylsulfanyl)-1-[4-[(E)-styryl]sulfonylpiperazin-1-yl]ethanone CAS Name: 2-[(4-methylphenyl)methylthio]-1-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(4-methylbenzyl)thio]-1-[4-[(E)-styryl]sulfonylpiperazino]ethanone Formula: C22H26N2O3S2 MolecularWeight: 430.58344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3S2/c1-19-7-9-21(10-8-19)17-28-18-22(25)23-12-14-24(15-13-23)29(26,27)16-11-20-5-3-2-4-6-20/h2-11,16H,12-15,17-18H2,1H3/b16-11+