N-[3-[(5-chloranyl-2-methyl-phenyl)amino]quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[3-[(5-chloranyl-2-methyl-phenyl)amino]quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[3-(5-chloro-2-methyl-anilino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[3-(5-chloro-2-methylanilino)-2-quinoxalinyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[3-(5-chloro-2-methylanilino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[3-(5-chloro-2-methyl-anilino)quinoxalin-2-yl]piazthiole-4-sulfonamide Formula: C21H15ClN6O2S2 MolecularWeight: 482.9658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C21H15ClN6O2S2/c1-12-9-10-13(22)11-17(12)25-20-21(24-15-6-3-2-5-14(15)23-20)28-32(29,30)18-8-4-7-16-19(18)27-31-26-16/h2-11H,1H3,(H,23,25)(H,24,28)