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

Systemtic Name: 5-[[3-(2-phenoxyethanoylamino)-5-[(6-sulfonaphthalen-1-yl)carbamoyl]phenyl]carbonylamino]naphthalene-2-sulfonic acid Openeye Name: 5-[[3-[(2-phenoxyacetyl)amino]-5-[(6-sulfo-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid CAS Name: 5-[[oxo-[3-[(1-oxo-2-phenoxyethyl)amino]-5-[oxo-[(6-sulfo-1-naphthalenyl)amino]methyl]phenyl]methyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 5-[[3-[(2-phenoxyacetyl)amino]-5-[(6-sulfonaphthalen-1-yl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid Traditional Name: 5-[[3-[(2-phenoxyacetyl)amino]-5-[(6-sulfo-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid Formula: C36H27N3O10S2 MolecularWeight: 725.74368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)NC2=CC(=CC(=C2)C(=O)NC3=CC=CC4=C3C=CC(=C4)S(=O)(=O)O)C(=O)NC5=CC=CC6=C5C=CC(=C6)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)NC2=CC(=CC(=C2)C(=O)NC3=CC=CC4=C3C=CC(=C4)S(=O)(=O)O)C(=O)NC5=CC=CC6=C5C=CC(=C6)S(=O)(=O)O

InChI

InChI=1S/C36H27N3O10S2/c40-34(21-49-27-8-2-1-3-9-27)37-26-17-24(35(41)38-32-10-4-6-22-19-28(50(43,44)45)12-14-30(22)32)16-25(18-26)36(42)39-33-11-5-7-23-20-29(51(46,47)48)13-15-31(23)33/h1-20H,21H2,(H,37,40)(H,38,41)(H,39,42)(H,43,44,45)(H,46,47,48)