(E)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenylsulfanyl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenylsulfanyl-prop-2-en-1-one Openeye Name: (E)-3-phenylsulfanyl-1-[4-(p-tolylsulfonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-(phenylthio)-2-propen-1-one IUPAC Name: (E)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenylsulfanylprop-2-en-1-one Traditional Name: (E)-3-(phenylthio)-1-(4-tosylpiperazino)prop-2-en-1-one Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C=CSC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/SC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O3S2/c1-17-7-9-19(10-8-17)27(24,25)22-14-12-21(13-15-22)20(23)11-16-26-18-5-3-2-4-6-18/h2-11,16H,12-15H2,1H3/b16-11+