N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]-N-[3-(p-tolyl)isoxazol-5-yl]acetamide CAS Name: N-[3-(4-methylphenyl)-5-isoxazolyl]-2-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]acetamide IUPAC Name: N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylacetamide Traditional Name: 2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]-N-[3-(p-tolyl)isoxazol-5-yl]acetamide Formula: C22H26N5O4S2+ MolecularWeight: 488.60294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C22H25N5O4S2/c1-16-3-5-17(6-4-16)19-13-21(31-25-19)24-20(28)15-32-22-8-7-18(14-23-22)33(29,30)27-11-9-26(2)10-12-27/h3-8,13-14H,9-12,15H2,1-2H3,(H,24,28)/p+1