2-(4-fluorophenyl)-4-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]-1,3-oxazole

Systemtic Name: 2-(4-fluorophenyl)-4-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]-1,3-oxazole Openeye Name: 2-(4-fluorophenyl)-4-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanylmethyl]oxazole CAS Name: 2-(4-fluorophenyl)-4-[[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]methyl]oxazole IUPAC Name: 2-(4-fluorophenyl)-4-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]-1,3-oxazole Traditional Name: 2-(4-fluorophenyl)-4-[[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]methyl]oxazole Formula: C20H22FN4O3S2+ MolecularWeight: 449.542083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=COC(=N3)C4=CC=C(C=C4)F

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=COC(=N3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H21FN4O3S2/c1-24-8-10-25(11-9-24)30(26,27)18-6-7-19(22-12-18)29-14-17-13-28-20(23-17)15-2-4-16(21)5-3-15/h2-7,12-13H,8-11,14H2,1H3/p+1