N-[3-[(2-chlorophenyl)methylamino]quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[3-[(2-chlorophenyl)methylamino]quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[3-[(2-chlorophenyl)methylamino]quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[3-[(2-chlorophenyl)methylamino]-2-quinoxalinyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[3-[(2-chlorophenyl)methylamino]quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[3-[(2-chlorobenzyl)amino]quinoxalin-2-yl]piazthiole-4-sulfonamide Formula: C21H15ClN6O2S2 MolecularWeight: 482.9658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC5=NSN=C54)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CNC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC5=NSN=C54)Cl

InChI

InChI=1S/C21H15ClN6O2S2/c22-14-7-2-1-6-13(14)12-23-20-21(25-16-9-4-3-8-15(16)24-20)28-32(29,30)18-11-5-10-17-19(18)27-31-26-17/h1-11H,12H2,(H,23,24)(H,25,28)