N-cyclohexyl-2-[[4-ethyl-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-cyclohexyl-2-[[4-ethyl-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-cyclohexyl-2-[[4-ethyl-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-cyclohexyl-2-[[4-ethyl-5-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-cyclohexyl-2-[[4-ethyl-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-cyclohexyl-2-[[4-ethyl-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H35N6O3S2+ MolecularWeight: 507.6924

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C23H34N6O3S2/c1-3-29-22(25-26-23(29)33-17-21(30)24-19-7-5-4-6-8-19)18-9-11-20(12-10-18)34(31,32)28-15-13-27(2)14-16-28/h9-12,19H,3-8,13-17H2,1-2H3,(H,24,30)/p+1