[1-(2-fluorophenyl)-5-methyl-pyrazol-4-yl]-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [1-(2-fluorophenyl)-5-methyl-pyrazol-4-yl]-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-[1-(2-fluorophenyl)-5-methyl-pyrazol-4-yl]methanone CAS Name: [1-(2-fluorophenyl)-5-methyl-4-pyrazolyl]-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone Traditional Name: (4-benzylsulfonylpiperazino)-[1-(2-fluorophenyl)-5-methyl-pyrazol-4-yl]methanone Formula: C22H23FN4O3S MolecularWeight: 442.506423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2F)C(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2F)C(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H23FN4O3S/c1-17-19(15-24-27(17)21-10-6-5-9-20(21)23)22(28)25-11-13-26(14-12-25)31(29,30)16-18-7-3-2-4-8-18/h2-10,15H,11-14,16H2,1H3