3-[[3-(phenylsulfonylamino)quinoxalin-2-yl]amino]benzoic acid

Systemtic Name: 3-[[3-(phenylsulfonylamino)quinoxalin-2-yl]amino]benzoic acid Openeye Name: 3-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]benzoic acid CAS Name: 3-[[3-(benzenesulfonamido)-2-quinoxalinyl]amino]benzoic acid IUPAC Name: 3-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]benzoic acid Traditional Name: 3-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]benzoic acid Formula: C21H16N4O4S MolecularWeight: 420.44114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C21H16N4O4S/c26-21(27)14-7-6-8-15(13-14)22-19-20(24-18-12-5-4-11-17(18)23-19)25-30(28,29)16-9-2-1-3-10-16/h1-13H,(H,22,23)(H,24,25)(H,26,27)