5-(4-fluorophenyl)-4-methyl-3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]-1,2-oxazole

Systemtic Name: 5-(4-fluorophenyl)-4-methyl-3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]-1,2-oxazole Openeye Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-(4-fluorophenyl)-4-methyl-isoxazole CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-5-(4-fluorophenyl)-4-methylisoxazole IUPAC Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole Traditional Name: 3-[(4-besylpiperazino)methyl]-5-(4-fluorophenyl)-4-methyl-isoxazole Formula: C21H22FN3O3S MolecularWeight: 415.481083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(ON=C1CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(ON=C1CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN3O3S/c1-16-20(23-28-21(16)17-7-9-18(22)10-8-17)15-24-11-13-25(14-12-24)29(26,27)19-5-3-2-4-6-19/h2-10H,11-15H2,1H3