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

Systemtic Name: 5-[[3-(pyridin-4-ylcarbonylamino)-5-[(6-sulfonaphthalen-1-yl)carbamoyl]phenyl]carbonylamino]naphthalene-2-sulfonic acid Openeye Name: 5-[[3-(pyridine-4-carbonylamino)-5-[(6-sulfo-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid CAS Name: 5-[[oxo-[3-[[oxo(pyridin-4-yl)methyl]amino]-5-[oxo-[(6-sulfo-1-naphthalenyl)amino]methyl]phenyl]methyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 5-[[3-(pyridine-4-carbonylamino)-5-[(6-sulfonaphthalen-1-yl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid Traditional Name: 5-[[3-isonicotinamido-5-[(6-sulfo-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid Formula: C34H24N4O9S2 MolecularWeight: 696.70576

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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)NC(=O)C4=CC=NC=C4)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)NC(=O)C4=CC=NC=C4)C(=O)NC5=CC=CC6=C5C=CC(=C6)S(=O)(=O)O

InChI

InChI=1S/C34H24N4O9S2/c39-32(20-11-13-35-14-12-20)36-25-16-23(33(40)37-30-5-1-3-21-18-26(48(42,43)44)7-9-28(21)30)15-24(17-25)34(41)38-31-6-2-4-22-19-27(49(45,46)47)8-10-29(22)31/h1-19H,(H,36,39)(H,37,40)(H,38,41)(H,42,43,44)(H,45,46,47)