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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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