sodium 2,5-bis[(4-aminophenyl)carbonylamino]benzenesulfonate

Systemtic Name: sodium 2,5-bis[(4-aminophenyl)carbonylamino]benzenesulfonate Openeye Name: sodium 2,5-bis[(4-aminobenzoyl)amino]benzenesulfonate CAS Name: sodium 2,5-bis[[(4-aminophenyl)-oxomethyl]amino]benzenesulfonate IUPAC Name: sodium 2,5-bis[(4-aminobenzoyl)amino]benzenesulfonate Traditional Name: sodium 2,5-bis[(4-aminobenzoyl)amino]besylate Formula: C20H17N4NaO5S MolecularWeight: 448.42755

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)N)S(=O)(=O)[O-])N.[Na+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)N)S(=O)(=O)[O-])N.[Na+]

InChI

InChI=1S/C20H18N4O5S.Na/c21-14-5-1-12(2-6-14)19(25)23-16-9-10-17(18(11-16)30(27,28)29)24-20(26)13-3-7-15(22)8-4-13;/h1-11H,21-22H2,(H,23,25)(H,24,26)(H,27,28,29);/q;+1/p-1