calcium 2-[[4-(hydroxymethylcarbamoylsulfamoyl)phenyl]carbamoyl]benzoic acid

Systemtic Name: calcium 2-[[4-(hydroxymethylcarbamoylsulfamoyl)phenyl]carbamoyl]benzoic acid Openeye Name: calcium 2-[[4-(hydroxymethylcarbamoylsulfamoyl)phenyl]carbamoyl]benzoic acid CAS Name: calcium 2-[[4-[[(hydroxymethylamino)-oxomethyl]sulfamoyl]anilino]-oxomethyl]benzoic acid IUPAC Name: calcium 2-[[4-(hydroxymethylcarbamoylsulfamoyl)phenyl]carbamoyl]benzoic acid Traditional Name: calcium 2-[[4-(methylolcarbamoylsulfamoyl)phenyl]carbamoyl]benzoic acid Formula: C16H15CaN3O7S+2 MolecularWeight: 433.4492

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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)NCO)C(=O)O.[Ca+2]

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O7S.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;/h1-8,20H,9H2,(H,18,21)(H,22,23)(H2,17,19,24);/q;+2