calcium 2-[[4-(oxidanidylmethylcarbamoylsulfamoyl)phenyl]carbamoyl]benzoate

Systemtic Name: calcium 2-[[4-(oxidanidylmethylcarbamoylsulfamoyl)phenyl]carbamoyl]benzoate Openeye Name: calcium 2-[[4-(oxidomethylcarbamoylsulfamoyl)phenyl]carbamoyl]benzoate CAS Name: calcium 2-[[4-[[(oxidomethylamino)-oxomethyl]sulfamoyl]anilino]-oxomethyl]benzoate IUPAC Name: calcium 2-[[4-(oxidomethylcarbamoylsulfamoyl)phenyl]carbamoyl]benzoate Traditional Name: calcium 2-[[4-(oxidomethylcarbamoylsulfamoyl)phenyl]carbamoyl]benzoate Formula: C16H13CaN3O7S MolecularWeight: 431.43332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC[O-])C(=O)[O-].[Ca+2]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC[O-])C(=O)[O-].[Ca+2]

InChI

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