5-[[3-[(4-fluorophenyl)sulfonylamino]-5-[(6-sulfonaphthalen-1-yl)carbamoyl]phenyl]carbonylamino]naphthalene-2-sulfonic acid

Systemtic Name: 5-[[3-[(4-fluorophenyl)sulfonylamino]-5-[(6-sulfonaphthalen-1-yl)carbamoyl]phenyl]carbonylamino]naphthalene-2-sulfonic acid Openeye Name: 5-[[3-[(4-fluorophenyl)sulfonylamino]-5-[(6-sulfo-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid CAS Name: 5-[[[3-[(4-fluorophenyl)sulfonylamino]-5-[oxo-[(6-sulfo-1-naphthalenyl)amino]methyl]phenyl]-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 5-[[3-[(4-fluorophenyl)sulfonylamino]-5-[(6-sulfonaphthalen-1-yl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid Traditional Name: 5-[[3-[(4-fluorophenyl)sulfonylamino]-5-[(6-sulfo-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid Formula: C34H24FN3O10S3 MolecularWeight: 749.761863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C(=C1)NC(=O)C3=CC(=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)F)C(=O)NC5=CC=CC6=C5C=CC(=C6)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C(=C1)NC(=O)C3=CC(=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)F)C(=O)NC5=CC=CC6=C5C=CC(=C6)S(=O)(=O)O

InChI

InChI=1S/C34H24FN3O10S3/c35-24-7-9-26(10-8-24)49(41,42)38-25-16-22(33(39)36-31-5-1-3-20-18-27(50(43,44)45)11-13-29(20)31)15-23(17-25)34(40)37-32-6-2-4-21-19-28(51(46,47)48)12-14-30(21)32/h1-19,38H,(H,36,39)(H,37,40)(H,43,44,45)(H,46,47,48)