5-(3-azanyl-1H-isoindol-2-ium-2-yl)-N-(2-methoxyphenyl)-2-methyl-benzenesulfonamide

Systemtic Name: 5-(3-azanyl-1H-isoindol-2-ium-2-yl)-N-(2-methoxyphenyl)-2-methyl-benzenesulfonamide Openeye Name: 5-(3-amino-1H-isoindol-2-ium-2-yl)-N-(2-methoxyphenyl)-2-methyl-benzenesulfonamide CAS Name: 5-(3-amino-1H-isoindol-2-ium-2-yl)-N-(2-methoxyphenyl)-2-methylbenzenesulfonamide IUPAC Name: 5-(3-amino-1H-isoindol-2-ium-2-yl)-N-(2-methoxyphenyl)-2-methylbenzenesulfonamide Traditional Name: 5-(3-amino-1H-isoindol-2-ium-2-yl)-N-(2-methoxyphenyl)-2-methyl-benzenesulfonamide Formula: C22H22N3O3S+ MolecularWeight: 408.49338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+]2=C(C3=CC=CC=C3C2)N)S(=O)(=O)NC4=CC=CC=C4OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+]2=C(C3=CC=CC=C3C2)N)S(=O)(=O)NC4=CC=CC=C4OC

InChI

InChI=1S/C22H21N3O3S/c1-15-11-12-17(25-14-16-7-3-4-8-18(16)22(25)23)13-21(15)29(26,27)24-19-9-5-6-10-20(19)28-2/h3-13,23-24H,14H2,1-2H3/p+1