2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide

Systemtic Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide Openeye Name: 2-[(5-methylisoxazol-3-yl)methylsulfanyl]-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]benzamide IUPAC Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide Formula: C23H27N4O4S2+ MolecularWeight: 487.61488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C23H26N4O4S2/c1-17-15-19(25-31-17)16-32-22-6-4-3-5-21(22)23(28)24-18-7-9-20(10-8-18)33(29,30)27-13-11-26(2)12-14-27/h3-10,15H,11-14,16H2,1-2H3,(H,24,28)/p+1