calcium [4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylazanide

Systemtic Name: calcium [4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylazanide Openeye Name: calcium [4-(5-methyl-3-phenyl-isoxazol-4-yl)phenyl]sulfonylazanide CAS Name: calcium [4-(5-methyl-3-phenyl-4-isoxazolyl)phenyl]sulfonylazanide IUPAC Name: calcium [4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylazanide Traditional Name: calcium [4-(5-methyl-3-phenyl-isoxazol-4-yl)phenyl]sulfonylazanide Formula: C32H26CaN4O6S2 MolecularWeight: 666.78004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)[NH-].CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)[NH-].[Ca+2]

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)[NH-].CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)[NH-].[Ca+2]

InChI

InChI=1S/2C16H13N2O3S.Ca/c2*1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13;/h2*2-10H,1H3,(H-,17,19,20);/q2*-1;+2