N-[4-[2-[2-(2-azanylethyl)-5-chloranyl-2-methyl-3-oxidanylidene-1H-isoindol-2-ium-1-yl]-1-oxidanyl-ethyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[2-[2-(2-azanylethyl)-5-chloranyl-2-methyl-3-oxidanylidene-1H-isoindol-2-ium-1-yl]-1-oxidanyl-ethyl]phenyl]methanesulfonamide Openeye Name: N-[4-[2-[2-(2-aminoethyl)-5-chloro-2-methyl-3-oxo-isoindolin-2-ium-1-yl]-1-hydroxy-ethyl]phenyl]methanesulfonamide CAS Name: N-[4-[2-[2-(2-aminoethyl)-5-chloro-2-methyl-3-oxo-1H-isoindol-2-ium-1-yl]-1-hydroxyethyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[2-[2-(2-aminoethyl)-5-chloro-2-methyl-3-oxo-1H-isoindol-2-ium-1-yl]-1-hydroxyethyl]phenyl]methanesulfonamide Traditional Name: N-[4-[2-[2-(2-aminoethyl)-5-chloro-3-keto-2-methyl-isoindolin-2-ium-1-yl]-1-hydroxy-ethyl]phenyl]methanesulfonamide Formula: C20H25ClN3O4S+ MolecularWeight: 438.9482

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(C2=C(C1=O)C=C(C=C2)Cl)CC(C3=CC=C(C=C3)NS(=O)(=O)C)O)CCN

Isomeric SMILES

C[N+]1(C(C2=C(C1=O)C=C(C=C2)Cl)CC(C3=CC=C(C=C3)NS(=O)(=O)C)O)CCN

InChI

InChI=1S/C20H25ClN3O4S/c1-24(10-9-22)18(16-8-5-14(21)11-17(16)20(24)26)12-19(25)13-3-6-15(7-4-13)23-29(2,27)28/h3-8,11,18-19,23,25H,9-10,12,22H2,1-2H3/q+1