sodium 7-[[7-[(3-carboxy-4-oxidanyl-phenyl)sulfamoyl]naphthalen-2-yl]carbamoylamino]naphthalene-2-sulfonate

Systemtic Name: sodium 7-[[7-[(3-carboxy-4-oxidanyl-phenyl)sulfamoyl]naphthalen-2-yl]carbamoylamino]naphthalene-2-sulfonate Openeye Name: sodium 7-[[7-[(3-carboxy-4-hydroxy-phenyl)sulfamoyl]-2-naphthyl]carbamoylamino]naphthalene-2-sulfonate CAS Name: sodium 7-[[[[7-[(3-carboxy-4-hydroxyphenyl)sulfamoyl]-2-naphthalenyl]amino]-oxomethyl]amino]-2-naphthalenesulfonate IUPAC Name: sodium 7-[[7-[(3-carboxy-4-hydroxyphenyl)sulfamoyl]naphthalen-2-yl]carbamoylamino]naphthalene-2-sulfonate Traditional Name: sodium 7-[[7-[(3-carboxy-4-hydroxy-phenyl)sulfamoyl]-2-naphthyl]carbamoylamino]naphthalene-2-sulfonate Formula: C28H20N3NaO9S2 MolecularWeight: 629.59287

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CC(=C2)S(=O)(=O)NC3=CC(=C(C=C3)O)C(=O)O)NC(=O)NC4=CC5=C(C=C4)C=CC(=C5)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC2=C1C=CC(=C2)S(=O)(=O)NC3=CC(=C(C=C3)O)C(=O)O)NC(=O)NC4=CC5=C(C=C4)C=CC(=C5)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C28H21N3O9S2.Na/c32-26-10-7-22(15-25(26)27(33)34)31-41(36,37)23-8-3-16-1-5-20(11-18(16)13-23)29-28(35)30-21-6-2-17-4-9-24(42(38,39)40)14-19(17)12-21;/h1-15,31-32H,(H,33,34)(H2,29,30,35)(H,38,39,40);/q;+1/p-1