3-bromanyl-4-(6-methylpyridin-2-yl)azanidylsulfonyl-benzoate

Systemtic Name: 3-bromanyl-4-(6-methylpyridin-2-yl)azanidylsulfonyl-benzoate Openeye Name: 3-bromo-4-[(6-methyl-2-pyridyl)azanidylsulfonyl]benzoate CAS Name: 3-bromo-4-[(6-methyl-2-pyridinyl)azanidylsulfonyl]benzoate IUPAC Name: 3-bromo-4-(6-methylpyridin-2-yl)azanidylsulfonylbenzoate Traditional Name: 3-bromo-4-[(6-methyl-2-pyridyl)azanidylsulfonyl]benzoate Formula: C13H9BrN2O4S-2 MolecularWeight: 369.19056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)[N-]S(=O)(=O)C2=C(C=C(C=C2)C(=O)[O-])Br

Isomeric SMILES

CC1=NC(=CC=C1)[N-]S(=O)(=O)C2=C(C=C(C=C2)C(=O)[O-])Br

InChI

InChI=1S/C13H11BrN2O4S/c1-8-3-2-4-12(15-8)16-21(19,20)11-6-5-9(13(17)18)7-10(11)14/h2-7H,1H3,(H2,15,16,17,18)/p-2