2-[(E)-3-phenylprop-2-enyl]sulfanyl-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(E)-3-phenylprop-2-enyl]sulfanyl-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(E)-cinnamyl]sulfanyl-ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[[(E)-3-phenylprop-2-enyl]thio]ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(E)-3-phenylprop-2-enyl]sulfanylethanone Traditional Name: 1-(4-besylpiperazino)-2-[[(E)-cinnamyl]thio]ethanone Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSCC=CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)CSC/C=C/C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3S2/c24-21(18-27-17-7-10-19-8-3-1-4-9-19)22-13-15-23(16-14-22)28(25,26)20-11-5-2-6-12-20/h1-12H,13-18H2/b10-7+