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(4-methylphenyl)sulfonyl-(5-nitroisoquinolin-2-ium-2-yl)azanide

(4-methylphenyl)sulfonyl-(5-nitroisoquinolin-2-ium-2-yl)azanide

Systemtic Name:(4-methylphenyl)sulfonyl-(5-nitroisoquinolin-2-ium-2-yl)azanide
Openeye Name:(5-nitroisoquinolin-2-ium-2-yl)-(p-tolylsulfonyl)azanide
CAS Name:(4-methylphenyl)sulfonyl-(5-nitro-2-isoquinolin-2-iumyl)azanide
IUPAC Name:(4-methylphenyl)sulfonyl-(5-nitroisoquinolin-2-ium-2-yl)azanide
Traditional Name:(5-nitroisoquinolin-2-ium-2-yl)-tosyl-azanide
Formula: C16H13N3O4S
MolecularWeight: 343.35712
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[N-][N+]2=CC3=C(C=C2)C(=CC=C3)[N+](=O)[O-]


Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[N-][N+]2=CC3=C(C=C2)C(=CC=C3)[N+](=O)[O-]


InChI

InChI=1S/C16H13N3O4S/c1-12-5-7-14(8-6-12)24(22,23)17-18-10-9-15-13(11-18)3-2-4-16(15)19(20)21/h2-11H,1H3


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