N-[3-[(3-chloranyl-4-methoxy-phenyl)amino]quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[3-[(3-chloranyl-4-methoxy-phenyl)amino]quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[3-(3-chloro-4-methoxy-anilino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[3-(3-chloro-4-methoxyanilino)-2-quinoxalinyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[3-(3-chloro-4-methoxyanilino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[3-(3-chloro-4-methoxy-anilino)quinoxalin-2-yl]piazthiole-4-sulfonamide Formula: C21H15ClN6O3S2 MolecularWeight: 498.9652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC5=NSN=C54)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC5=NSN=C54)Cl

InChI

InChI=1S/C21H15ClN6O3S2/c1-31-17-10-9-12(11-13(17)22)23-20-21(25-15-6-3-2-5-14(15)24-20)28-33(29,30)18-8-4-7-16-19(18)27-32-26-16/h2-11H,1H3,(H,23,24)(H,25,28)