Calcium 2-[[[4-[[[[(Oxidomethyl)Amino]Carbonyl]Amino]Sulphonyl]Phenyl]Amino]Carbonyl]Benzoate
[CAS# 97259-91-1]

Identification

• Name: Calcium 2-[[[4-[[[[(Oxidomethyl)Amino]Carbonyl]Amino]Sulphonyl]Phenyl]Amino]Carbonyl]Benzoate
• Synonyms: Calcium 2-[[[4-[[(Oxidomethylamino)-Oxomethyl]Sulfamoyl]Phenyl]Amino]-Oxomethyl]Benzoate; Calcium 2-(((4-(((((Oxidomethyl)Amino)Carbonyl)Amino)Sulphonyl)Phenyl)Amino)Carbonyl)Benzoate
• Molecular Formula: C₁₆H₁₃CaN₃O₇S
• Molecular Weight: 431.43
• CAS Registry Number: 97259-91-1
• EINECS: 306-455-4
• SMILES: C1=C([S](=O)(=O)NC(=O)NC[O-])C=CC(=C1)NC(=O)C2=C(C(=O)[O-])C=CC=C2.[Ca++]
• InChI: 1S/C16H14N3O7S.Ca/c20-9-17-16(24)19-27(25,26)11-7-5-10(6-8-11)18-14(21)12-3-1-2-4-13(12)15(22)23;/h1-8H,9H2,(H,18,21)(H,22,23)(H2,17,19,24);/q-1;+2/p-1
• InChIKey: MPSSWSPZVSQBNX-UHFFFAOYSA-M