(E)-3-(4-methylsulfanylphenyl)-1-[4-(phenylsulfonyl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(4-methylsulfanylphenyl)-1-[4-(phenylsulfonyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(4-methylsulfanylphenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(benzenesulfonyl)-1-piperazinyl]-3-[4-(methylthio)phenyl]-2-propen-1-one IUPAC Name: (E)-1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(4-methylsulfanylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-besylpiperazino)-3-[4-(methylthio)phenyl]prop-2-en-1-one Formula: C20H22N2O3S2 MolecularWeight: 402.53028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O3S2/c1-26-18-10-7-17(8-11-18)9-12-20(23)21-13-15-22(16-14-21)27(24,25)19-5-3-2-4-6-19/h2-12H,13-16H2,1H3/b12-9+