2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]ethanamide

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]ethanamide Openeye Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]acetamide IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide Traditional Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C24H40N4O4S+2 MolecularWeight: 480.6638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCC3(CCCCC3)[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCC3(CCCCC3)[NH+]4CCOCC4

InChI

InChI=1S/C24H38N4O4S/c1-21-5-7-22(8-6-21)33(30,31)28-13-11-26(12-14-28)19-23(29)25-20-24(9-3-2-4-10-24)27-15-17-32-18-16-27/h5-8H,2-4,9-20H2,1H3,(H,25,29)/p+2