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

Systemtic Name: 5-[[3-acetamido-5-[(6-sulfonaphthalen-1-yl)carbamoyl]phenyl]carbonylamino]naphthalene-2-sulfonic acid Openeye Name: 5-[[3-acetamido-5-[(6-sulfo-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid CAS Name: 5-[[[3-acetamido-5-[oxo-[(6-sulfo-1-naphthalenyl)amino]methyl]phenyl]-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 5-[[3-acetamido-5-[(6-sulfonaphthalen-1-yl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid Traditional Name: 5-[[3-acetamido-5-[(6-sulfo-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid Formula: C30H23N3O9S2 MolecularWeight: 633.64832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C(=O)NC2=CC=CC3=C2C=CC(=C3)S(=O)(=O)O)C(=O)NC4=CC=CC5=C4C=CC(=C5)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C(=O)NC2=CC=CC3=C2C=CC(=C3)S(=O)(=O)O)C(=O)NC4=CC=CC5=C4C=CC(=C5)S(=O)(=O)O

InChI

InChI=1S/C30H23N3O9S2/c1-17(34)31-22-13-20(29(35)32-27-6-2-4-18-15-23(43(37,38)39)8-10-25(18)27)12-21(14-22)30(36)33-28-7-3-5-19-16-24(44(40,41)42)9-11-26(19)28/h2-16H,1H3,(H,31,34)(H,32,35)(H,33,36)(H,37,38,39)(H,40,41,42)