2-[4-[4-(3-azanyl-1H-isoindol-2-ium-2-yl)phenyl]sulfonylphenyl]-3H-isoindol-2-ium-1-amine

Systemtic Name: 2-[4-[4-(3-azanyl-1H-isoindol-2-ium-2-yl)phenyl]sulfonylphenyl]-3H-isoindol-2-ium-1-amine Openeye Name: 2-[4-[4-(3-amino-1H-isoindol-2-ium-2-yl)phenyl]sulfonylphenyl]-3H-isoindol-2-ium-1-amine CAS Name: 2-[4-[4-(3-amino-1H-isoindol-2-ium-2-yl)phenyl]sulfonylphenyl]-3H-isoindol-2-ium-1-amine IUPAC Name: 2-[4-[4-(3-amino-1H-isoindol-2-ium-2-yl)phenyl]sulfonylphenyl]-3H-isoindol-2-ium-1-amine Traditional Name: [2-[4-[4-(3-amino-1H-isoindol-2-ium-2-yl)phenyl]sulfonylphenyl]-3H-isoindol-2-ium-1-yl]amine Formula: C28H24N4O2S+2 MolecularWeight: 480.58076

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=[N+]1C3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)[N+]5=C(C6=CC=CC=C6C5)N)N

Isomeric SMILES

C1C2=CC=CC=C2C(=[N+]1C3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)[N+]5=C(C6=CC=CC=C6C5)N)N

InChI

InChI=1S/C28H22N4O2S/c29-27-25-7-3-1-5-19(25)17-31(27)21-9-13-23(14-10-21)35(33,34)24-15-11-22(12-16-24)32-18-20-6-2-4-8-26(20)28(32)30/h1-16,29-30H,17-18H2/p+2