sodium (2-bromanyl-4-methyl-phenyl)carbonyl-(6-morpholin-4-ylpyridin-3-yl)sulfonyl-azanide

Systemtic Name: sodium (2-bromanyl-4-methyl-phenyl)carbonyl-(6-morpholin-4-ylpyridin-3-yl)sulfonyl-azanide Openeye Name: sodium (2-bromo-4-methyl-benzoyl)-[(6-morpholino-3-pyridyl)sulfonyl]azanide CAS Name: sodium [(2-bromo-4-methylphenyl)-oxomethyl]-[[6-(4-morpholinyl)-3-pyridinyl]sulfonyl]azanide IUPAC Name: sodium (2-bromo-4-methylbenzoyl)-(6-morpholin-4-ylpyridin-3-yl)sulfonylazanide Traditional Name: sodium (2-bromo-4-methyl-benzoyl)-[(6-morpholino-3-pyridyl)sulfonyl]azanide Formula: C17H17BrN3NaO4S MolecularWeight: 462.29335

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)[N-]S(=O)(=O)C2=CN=C(C=C2)N3CCOCC3)Br.[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)[N-]S(=O)(=O)C2=CN=C(C=C2)N3CCOCC3)Br.[Na+]

InChI

InChI=1S/C17H18BrN3O4S.Na/c1-12-2-4-14(15(18)10-12)17(22)20-26(23,24)13-3-5-16(19-11-13)21-6-8-25-9-7-21;/h2-5,10-11H,6-9H2,1H3,(H,20,22);/q;+1/p-1