7-[[7-[[3-(4-methylphenoxy)sulfonylphenyl]sulfamoyl]-5-oxidanyl-naphthalen-2-yl]carbamoylamino]-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 7-[[7-[[3-(4-methylphenoxy)sulfonylphenyl]sulfamoyl]-5-oxidanyl-naphthalen-2-yl]carbamoylamino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 4-hydroxy-7-[[5-hydroxy-7-[[3-(4-methylphenoxy)sulfonylphenyl]sulfamoyl]-2-naphthyl]carbamoylamino]naphthalene-2-sulfonic acid CAS Name: 4-hydroxy-7-[[[[5-hydroxy-7-[[3-(4-methylphenoxy)sulfonylphenyl]sulfamoyl]-2-naphthalenyl]amino]-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 4-hydroxy-7-[[5-hydroxy-7-[[3-(4-methylphenoxy)sulfonylphenyl]sulfamoyl]naphthalen-2-yl]carbamoylamino]naphthalene-2-sulfonic acid Traditional Name: 4-hydroxy-7-[[5-hydroxy-7-[[3-(4-methylphenoxy)sulfonylphenyl]sulfamoyl]-2-naphthyl]carbamoylamino]naphthalene-2-sulfonic acid Formula: C34H27N3O11S3 MolecularWeight: 749.78668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC(=C4C=CC(=CC4=C3)NC(=O)NC5=CC6=CC(=CC(=C6C=C5)O)S(=O)(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC(=C4C=CC(=CC4=C3)NC(=O)NC5=CC6=CC(=CC(=C6C=C5)O)S(=O)(=O)O)O

InChI

InChI=1S/C34H27N3O11S3/c1-20-5-9-26(10-6-20)48-51(46,47)27-4-2-3-25(17-27)37-49(41,42)28-15-21-13-23(7-11-30(21)32(38)18-28)35-34(40)36-24-8-12-31-22(14-24)16-29(19-33(31)39)50(43,44)45/h2-19,37-39H,1H3,(H2,35,36,40)(H,43,44,45)