2-[4-(methylsulfonylamino)piperidin-1-ium-1-yl]-N-[2-(phenylmethylsulfanyl)phenyl]ethanamide

Systemtic Name: 2-[4-(methylsulfonylamino)piperidin-1-ium-1-yl]-N-[2-(phenylmethylsulfanyl)phenyl]ethanamide Openeye Name: N-(2-benzylsulfanylphenyl)-2-[4-(methanesulfonamido)piperidin-1-ium-1-yl]acetamide CAS Name: 2-[4-(methanesulfonamido)-1-piperidin-1-iumyl]-N-[2-(phenylmethylthio)phenyl]acetamide IUPAC Name: N-(2-benzylsulfanylphenyl)-2-[4-(methanesulfonamido)piperidin-1-ium-1-yl]acetamide Traditional Name: N-[2-(benzylthio)phenyl]-2-[4-(methanesulfonamido)piperidin-1-ium-1-yl]acetamide Formula: C21H28N3O3S2+ MolecularWeight: 434.59532

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2SCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)NC1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2SCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S2/c1-29(26,27)23-18-11-13-24(14-12-18)15-21(25)22-19-9-5-6-10-20(19)28-16-17-7-3-2-4-8-17/h2-10,18,23H,11-16H2,1H3,(H,22,25)/p+1