4-[[3-[(3-nitrophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid

Systemtic Name: 4-[[3-[(3-nitrophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid Openeye Name: 4-[[3-[(3-nitrophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid CAS Name: 4-[[3-[(3-nitrophenyl)sulfonylamino]-2-quinoxalinyl]amino]benzoic acid IUPAC Name: 4-[[3-[(3-nitrophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid Traditional Name: 4-[[3-[(3-nitrophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid Formula: C21H15N5O6S MolecularWeight: 465.4387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H15N5O6S/c27-21(28)13-8-10-14(11-9-13)22-19-20(24-18-7-2-1-6-17(18)23-19)25-33(31,32)16-5-3-4-15(12-16)26(29)30/h1-12H,(H,22,23)(H,24,25)(H,27,28)