3-[[2-(phenylsulfonylamino)-1,2-dihydroacenaphthylen-1-yl]amino]benzoic acid

Systemtic Name: 3-[[2-(phenylsulfonylamino)-1,2-dihydroacenaphthylen-1-yl]amino]benzoic acid Openeye Name: 3-[[2-(benzenesulfonamido)-1,2-dihydroacenaphthylen-1-yl]amino]benzoic acid CAS Name: 3-[[2-(benzenesulfonamido)-1,2-dihydroacenaphthylen-1-yl]amino]benzoic acid IUPAC Name: 3-[[2-(benzenesulfonamido)-1,2-dihydroacenaphthylen-1-yl]amino]benzoic acid Traditional Name: 3-[[2-(benzenesulfonamido)acenaphthen-1-yl]amino]benzoic acid Formula: C25H20N2O4S MolecularWeight: 444.5023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC2C(C3=CC=CC4=C3C2=CC=C4)NC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2C(C3=CC=CC4=C3C2=CC=C4)NC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C25H20N2O4S/c28-25(29)17-9-4-10-18(15-17)26-23-20-13-5-7-16-8-6-14-21(22(16)20)24(23)27-32(30,31)19-11-2-1-3-12-19/h1-15,23-24,26-27H,(H,28,29)