2-oxidanyl-4-[[7-[(7-sulfonaphthalen-2-yl)carbamoylamino]naphthalen-2-yl]sulfonylamino]benzoic acid

Systemtic Name: 2-oxidanyl-4-[[7-[(7-sulfonaphthalen-2-yl)carbamoylamino]naphthalen-2-yl]sulfonylamino]benzoic acid Openeye Name: 2-hydroxy-4-[[7-[(7-sulfo-2-naphthyl)carbamoylamino]-2-naphthyl]sulfonylamino]benzoic acid CAS Name: 2-hydroxy-4-[[7-[[oxo-[(7-sulfo-2-naphthalenyl)amino]methyl]amino]-2-naphthalenyl]sulfonylamino]benzoic acid IUPAC Name: 2-hydroxy-4-[[7-[(7-sulfonaphthalen-2-yl)carbamoylamino]naphthalen-2-yl]sulfonylamino]benzoic acid Traditional Name: 2-hydroxy-4-[[7-[(7-sulfo-2-naphthyl)carbamoylamino]-2-naphthyl]sulfonylamino]benzoic acid Formula: C28H21N3O9S2 MolecularWeight: 607.61104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CC(=C2)S(=O)(=O)NC3=CC(=C(C=C3)C(=O)O)O)NC(=O)NC4=CC5=C(C=C4)C=CC(=C5)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC2=C1C=CC(=C2)S(=O)(=O)NC3=CC(=C(C=C3)C(=O)O)O)NC(=O)NC4=CC5=C(C=C4)C=CC(=C5)S(=O)(=O)O

InChI

InChI=1S/C28H21N3O9S2/c32-26-15-22(7-10-25(26)27(33)34)31-41(36,37)23-8-3-16-1-5-20(11-18(16)13-23)29-28(35)30-21-6-2-17-4-9-24(42(38,39)40)14-19(17)12-21/h1-15,31-32H,(H,33,34)(H2,29,30,35)(H,38,39,40)