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

Systemtic Name: 3-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]-5-thiophen-2-yl-1,2-oxazole Openeye Name: 3-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanylmethyl]-5-(2-thienyl)isoxazole CAS Name: 3-[[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]methyl]-5-thiophen-2-ylisoxazole IUPAC Name: 3-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]-5-thiophen-2-yl-1,2-oxazole Traditional Name: 3-[[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]methyl]-5-(2-thienyl)isoxazole Formula: C18H21N4O3S3+ MolecularWeight: 437.57934

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NOC(=C3)C4=CC=CS4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NOC(=C3)C4=CC=CS4

InChI

InChI=1S/C18H20N4O3S3/c1-21-6-8-22(9-7-21)28(23,24)15-4-5-18(19-12-15)27-13-14-11-16(25-20-14)17-3-2-10-26-17/h2-5,10-12H,6-9,13H2,1H3/p+1