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

Systemtic Name: (E)-1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-1-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-3-(1-methyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-brosylpiperazino)-3-(1-methylpyrazol-4-yl)prop-2-en-1-one Formula: C17H19BrN4O3S MolecularWeight: 439.32676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN4O3S/c1-20-13-14(12-19-20)2-7-17(23)21-8-10-22(11-9-21)26(24,25)16-5-3-15(18)4-6-16/h2-7,12-13H,8-11H2,1H3/b7-2+