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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN3O3S/c1-15-3-4-17(20-13-16(2)23-28-20)14-21(15)29(26,27)25-11-9-24(10-12-25)19-7-5-18(22)6-8-19/h3-8,13-14H,9-12H2,1-2H3