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

Systemtic Name: 5-[[3-(phenylsulfonylamino)-5-[(6-sulfonaphthalen-1-yl)carbamoyl]phenyl]carbonylamino]naphthalene-2-sulfonic acid Openeye Name: 5-[[3-(benzenesulfonamido)-5-[(6-sulfo-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid CAS Name: 5-[[[3-(benzenesulfonamido)-5-[oxo-[(6-sulfo-1-naphthalenyl)amino]methyl]phenyl]-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 5-[[3-(benzenesulfonamido)-5-[(6-sulfonaphthalen-1-yl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid Traditional Name: 5-[[3-(benzenesulfonamido)-5-[(6-sulfo-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid Formula: C34H25N3O10S3 MolecularWeight: 731.7714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=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)S(=O)(=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/C34H25N3O10S3/c38-33(35-31-10-4-6-21-19-27(49(42,43)44)12-14-29(21)31)23-16-24(18-25(17-23)37-48(40,41)26-8-2-1-3-9-26)34(39)36-32-11-5-7-22-20-28(50(45,46)47)13-15-30(22)32/h1-20,37H,(H,35,38)(H,36,39)(H,42,43,44)(H,45,46,47)