4-(3-azanyl-1H-isoindol-2-ium-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

Systemtic Name: 4-(3-azanyl-1H-isoindol-2-ium-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide Openeye Name: 4-(3-amino-1H-isoindol-2-ium-2-yl)-N-(5-methylisoxazol-3-yl)benzenesulfonamide CAS Name: 4-(3-amino-1H-isoindol-2-ium-2-yl)-N-(5-methyl-3-isoxazolyl)benzenesulfonamide IUPAC Name: 4-(3-amino-1H-isoindol-2-ium-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide Traditional Name: 4-(3-amino-1H-isoindol-2-ium-2-yl)-N-(5-methylisoxazol-3-yl)benzenesulfonamide Formula: C18H17N4O3S+ MolecularWeight: 369.41758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)[N+]3=C(C4=CC=CC=C4C3)N

Isomeric SMILES

CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)[N+]3=C(C4=CC=CC=C4C3)N

InChI

InChI=1S/C18H16N4O3S/c1-12-10-17(20-25-12)21-26(23,24)15-8-6-14(7-9-15)22-11-13-4-2-3-5-16(13)18(22)19/h2-10,19H,11H2,1H3,(H,20,21)/p+1