butyl 4-[[3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)quinoxalin-2-yl]amino]benzoate

Systemtic Name: butyl 4-[[3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)quinoxalin-2-yl]amino]benzoate Openeye Name: butyl 4-[[3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)quinoxalin-2-yl]amino]benzoate CAS Name: 4-[[3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-quinoxalinyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)quinoxalin-2-yl]amino]benzoate Traditional Name: 4-[[3-(piazthiol-4-ylsulfonylamino)quinoxalin-2-yl]amino]benzoic acid butyl ester Formula: C25H22N6O4S2 MolecularWeight: 534.60998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C25H22N6O4S2/c1-2-3-15-35-25(32)16-11-13-17(14-12-16)26-23-24(28-19-8-5-4-7-18(19)27-23)31-37(33,34)21-10-6-9-20-22(21)30-36-29-20/h4-14H,2-3,15H2,1H3,(H,26,27)(H,28,31)