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

Systemtic Name: (E)-3-(1-methylpyrazol-4-yl)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(1-methylpyrazol-4-yl)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(1-methyl-4-pyrazolyl)-1-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(1-methylpyrazol-4-yl)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(1-methylpyrazol-4-yl)-1-(4-nosylpiperazino)prop-2-en-1-one Formula: C17H19N5O5S MolecularWeight: 405.42826

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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)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=N1)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O5S/c1-19-13-14(12-18-19)2-7-17(23)20-8-10-21(11-9-20)28(26,27)16-5-3-15(4-6-16)22(24)25/h2-7,12-13H,8-11H2,1H3/b7-2+