sodium; 4-[[4-[(4-sulfophenyl)carbamoyl]phenyl]carbonylamino]benzenesulfonic acid

Systemtic Name: sodium; 4-[[4-[(4-sulfophenyl)carbamoyl]phenyl]carbonylamino]benzenesulfonic acid Openeye Name: sodium; 4-[[4-[(4-sulfophenyl)carbamoyl]benzoyl]amino]benzenesulfonic acid CAS Name: 4-[[oxo-[4-[oxo-(4-sulfoanilino)methyl]phenyl]methyl]amino]benzenesulfonic acid; sodium IUPAC Name: sodium; 4-[[4-[(4-sulfophenyl)carbamoyl]benzoyl]amino]benzenesulfonic acid Traditional Name: sodium; 4-[[4-[(4-sulfophenyl)carbamoyl]benzoyl]amino]besylic acid Formula: C20H16N2NaO8S2 MolecularWeight: 499.46941

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)O.[Na]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)O.[Na]

InChI

InChI=1S/C20H16N2O8S2.Na/c23-19(21-15-5-9-17(10-6-15)31(25,26)27)13-1-2-14(4-3-13)20(24)22-16-7-11-18(12-8-16)32(28,29)30;/h1-12H,(H,21,23)(H,22,24)(H,25,26,27)(H,28,29,30);