7-[[7-[(4-chloranyl-3-sulfo-phenyl)sulfamoyl]naphthalen-2-yl]carbamoylamino]naphthalene-2-sulfonic acid

Systemtic Name: 7-[[7-[(4-chloranyl-3-sulfo-phenyl)sulfamoyl]naphthalen-2-yl]carbamoylamino]naphthalene-2-sulfonic acid Openeye Name: 7-[[7-[(4-chloro-3-sulfo-phenyl)sulfamoyl]-2-naphthyl]carbamoylamino]naphthalene-2-sulfonic acid CAS Name: 7-[[[[7-[(4-chloro-3-sulfophenyl)sulfamoyl]-2-naphthalenyl]amino]-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 7-[[7-[(4-chloro-3-sulfophenyl)sulfamoyl]naphthalen-2-yl]carbamoylamino]naphthalene-2-sulfonic acid Traditional Name: 7-[[7-[(4-chloro-3-sulfo-phenyl)sulfamoyl]-2-naphthyl]carbamoylamino]naphthalene-2-sulfonic acid Formula: C27H20ClN3O9S3 MolecularWeight: 662.1104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CC(=C2)S(=O)(=O)NC3=CC(=C(C=C3)Cl)S(=O)(=O)O)NC(=O)NC4=CC5=C(C=C4)C=CC(=C5)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC2=C1C=CC(=C2)S(=O)(=O)NC3=CC(=C(C=C3)Cl)S(=O)(=O)O)NC(=O)NC4=CC5=C(C=C4)C=CC(=C5)S(=O)(=O)O

InChI

InChI=1S/C27H20ClN3O9S3/c28-25-10-7-22(15-26(25)43(38,39)40)31-41(33,34)23-8-3-16-1-5-20(11-18(16)13-23)29-27(32)30-21-6-2-17-4-9-24(42(35,36)37)14-19(17)12-21/h1-15,31H,(H2,29,30,32)(H,35,36,37)(H,38,39,40)