sodium 2-azanyl-4-[(3-chlorophenyl)carbonylamino]benzenesulfonate

Systemtic Name: sodium 2-azanyl-4-[(3-chlorophenyl)carbonylamino]benzenesulfonate Openeye Name: sodium 2-amino-4-[(3-chlorobenzoyl)amino]benzenesulfonate CAS Name: sodium 2-amino-4-[[(3-chlorophenyl)-oxomethyl]amino]benzenesulfonate IUPAC Name: sodium 2-amino-4-[(3-chlorobenzoyl)amino]benzenesulfonate Traditional Name: sodium 2-amino-4-[(3-chlorobenzoyl)amino]besylate Formula: C13H10ClN2NaO4S MolecularWeight: 348.73727

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN2O4S.Na/c14-9-3-1-2-8(6-9)13(17)16-10-4-5-12(11(15)7-10)21(18,19)20;/h1-7H,15H2,(H,16,17)(H,18,19,20);/q;+1/p-1