4-(3-azanyl-1H-isoindol-2-ium-2-yl)-N-pyrimidin-2-yl-benzenesulfonamide

Systemtic Name: 4-(3-azanyl-1H-isoindol-2-ium-2-yl)-N-pyrimidin-2-yl-benzenesulfonamide Openeye Name: 4-(3-amino-1H-isoindol-2-ium-2-yl)-N-pyrimidin-2-yl-benzenesulfonamide CAS Name: 4-(3-amino-1H-isoindol-2-ium-2-yl)-N-(2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-(3-amino-1H-isoindol-2-ium-2-yl)-N-pyrimidin-2-ylbenzenesulfonamide Traditional Name: 4-(3-amino-1H-isoindol-2-ium-2-yl)-N-(2-pyrimidyl)benzenesulfonamide Formula: C18H16N5O2S+ MolecularWeight: 366.41694

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=[N+]1C3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)N

Isomeric SMILES

C1C2=CC=CC=C2C(=[N+]1C3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)N

InChI

InChI=1S/C18H15N5O2S/c19-17-16-5-2-1-4-13(16)12-23(17)14-6-8-15(9-7-14)26(24,25)22-18-20-10-3-11-21-18/h1-11,19H,12H2,(H,20,21,22)/p+1