[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(4-tosylpiperazino)methanone Formula: C21H21FN4O3S MolecularWeight: 428.479843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(NN=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(NN=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN4O3S/c1-15-2-8-18(9-3-15)30(28,29)26-12-10-25(11-13-26)21(27)19-14-23-24-20(19)16-4-6-17(22)7-5-16/h2-9,14H,10-13H2,1H3,(H,23,24)