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

Systemtic Name: (E)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-3-(1-methylpyrazol-4-yl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-(1-methyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-3-(1-methylpyrazol-4-yl)-1-(4-tosylpiperazino)prop-2-en-1-one Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CN(N=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O3S/c1-15-3-6-17(7-4-15)26(24,25)22-11-9-21(10-12-22)18(23)8-5-16-13-19-20(2)14-16/h3-8,13-14H,9-12H2,1-2H3/b8-5+