sodium butanoyl-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl-azanide

Systemtic Name: sodium butanoyl-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl-azanide Openeye Name: sodium butanoyl-[4-(5-methyl-3-phenyl-isoxazol-4-yl)phenyl]sulfonyl-azanide CAS Name: sodium [4-(5-methyl-3-phenyl-4-isoxazolyl)phenyl]sulfonyl-(1-oxobutyl)azanide IUPAC Name: sodium butanoyl-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylazanide Traditional Name: sodium butyryl-[4-(5-methyl-3-phenyl-isoxazol-4-yl)phenyl]sulfonyl-azanide Formula: C20H19N2NaO4S MolecularWeight: 406.43063

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)[N-]S(=O)(=O)C1=CC=C(C=C1)C2=C(ON=C2C3=CC=CC=C3)C.[Na+]

Isomeric SMILES

CCCC(=O)[N-]S(=O)(=O)C1=CC=C(C=C1)C2=C(ON=C2C3=CC=CC=C3)C.[Na+]

InChI

InChI=1S/C20H20N2O4S.Na/c1-3-7-18(23)22-27(24,25)17-12-10-15(11-13-17)19-14(2)26-21-20(19)16-8-5-4-6-9-16;/h4-6,8-13H,3,7H2,1-2H3,(H,22,23);/q;+1/p-1