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

Systemtic Name: (E)-3-(1-methylpyrazol-4-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-1-[4-(benzenesulfonyl)-1-piperazinyl]-3-(1-methyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-besylpiperazino)-3-(1-methylpyrazol-4-yl)prop-2-en-1-one Formula: C17H20N4O3S MolecularWeight: 360.4307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C=C(C=N1)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H20N4O3S/c1-19-14-15(13-18-19)7-8-17(22)20-9-11-21(12-10-20)25(23,24)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3/b8-7+