(E)-3-(4-methylsulfanylphenyl)-1-(4-piperidin-1-ylsulfonylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(4-methylsulfanylphenyl)-1-(4-piperidin-1-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(4-methylsulfanylphenyl)-1-[4-(1-piperidylsulfonyl)phenyl]prop-2-en-1-one CAS Name: (E)-3-[4-(methylthio)phenyl]-1-[4-(1-piperidinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(4-methylsulfanylphenyl)-1-(4-piperidin-1-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-[4-(methylthio)phenyl]-1-(4-piperidinosulfonylphenyl)prop-2-en-1-one Formula: C21H23NO3S2 MolecularWeight: 401.54222

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H23NO3S2/c1-26-19-10-5-17(6-11-19)7-14-21(23)18-8-12-20(13-9-18)27(24,25)22-15-3-2-4-16-22/h5-14H,2-4,15-16H2,1H3/b14-7+