N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide Formula: C23H38N4O4S+2 MolecularWeight: 466.63722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)[NH+]4CCOCC4

InChI

InChI=1S/C23H36N4O4S/c28-22(24-20-23(9-5-2-6-10-23)26-15-17-31-18-16-26)19-25-11-13-27(14-12-25)32(29,30)21-7-3-1-4-8-21/h1,3-4,7-8H,2,5-6,9-20H2,(H,24,28)/p+2