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

Systemtic Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-(4-tosylpiperazino)prop-2-en-1-one Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=C(N(N=C3C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=C(N(N=C3C)C4=CC=CC=C4)C

InChI

InChI=1S/C25H28N4O3S/c1-19-9-11-23(12-10-19)33(31,32)28-17-15-27(16-18-28)25(30)14-13-24-20(2)26-29(21(24)3)22-7-5-4-6-8-22/h4-14H,15-18H2,1-3H3/b14-13+