(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-[4-(2-nitrophenyl)sulfonylpiperazino]prop-2-en-1-one Formula: C24H25N5O5S MolecularWeight: 495.5508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C24H25N5O5S/c1-18-21(19(2)28(25-18)20-8-4-3-5-9-20)12-13-24(30)26-14-16-27(17-15-26)35(33,34)23-11-7-6-10-22(23)29(31)32/h3-13H,14-17H2,1-2H3/b13-12+