N-[[3-(methylsulfonylamino)phenyl]methyl]-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide

Systemtic Name: N-[[3-(methylsulfonylamino)phenyl]methyl]-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide Openeye Name: N-[[3-(methanesulfonamido)phenyl]methyl]-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide CAS Name: N-[[3-(methanesulfonamido)phenyl]methyl]-4-(2-pyridin-1-iumyl)-1-piperazinecarboxamide IUPAC Name: N-[[3-(methanesulfonamido)phenyl]methyl]-4-pyridin-1-ium-2-ylpiperazine-1-carboxamide Traditional Name: N-[3-(methanesulfonamido)benzyl]-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide Formula: C18H24N5O3S+ MolecularWeight: 390.47986

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC(=C1)CNC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC(=C1)CNC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H23N5O3S/c1-27(25,26)21-16-6-4-5-15(13-16)14-20-18(24)23-11-9-22(10-12-23)17-7-2-3-8-19-17/h2-8,13,21H,9-12,14H2,1H3,(H,20,24)/p+1