(E)-3-(4-methylsulfanylphenyl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(4-methylsulfanylphenyl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(4-methylsulfanylphenyl)-1-[4-[(E)-styryl]sulfonylpiperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-[4-(methylthio)phenyl]-1-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(4-methylsulfanylphenyl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-[4-(methylthio)phenyl]-1-[4-[(E)-styryl]sulfonylpiperazino]prop-2-en-1-one Formula: C22H24N2O3S2 MolecularWeight: 428.56756

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)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3S2/c1-28-21-10-7-20(8-11-21)9-12-22(25)23-14-16-24(17-15-23)29(26,27)18-13-19-5-3-2-4-6-19/h2-13,18H,14-17H2,1H3/b12-9+,18-13+