5-chloranyl-N-[3-[(3,5-dimethoxyphenyl)amino]quinoxalin-2-yl]-1,3-dimethyl-pyrazole-4-sulfonamide

Systemtic Name: 5-chloranyl-N-[3-[(3,5-dimethoxyphenyl)amino]quinoxalin-2-yl]-1,3-dimethyl-pyrazole-4-sulfonamide Openeye Name: 5-chloro-N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-1,3-dimethyl-pyrazole-4-sulfonamide CAS Name: 5-chloro-N-[3-(3,5-dimethoxyanilino)-2-quinoxalinyl]-1,3-dimethyl-4-pyrazolesulfonamide IUPAC Name: 5-chloro-N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-1,3-dimethylpyrazole-4-sulfonamide Traditional Name: 5-chloro-N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-1,3-dimethyl-pyrazole-4-sulfonamide Formula: C21H21ClN6O4S MolecularWeight: 488.94724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC(=CC(=C4)OC)OC)Cl)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC(=CC(=C4)OC)OC)Cl)C

InChI

InChI=1S/C21H21ClN6O4S/c1-12-18(19(22)28(2)26-12)33(29,30)27-21-20(24-16-7-5-6-8-17(16)25-21)23-13-9-14(31-3)11-15(10-13)32-4/h5-11H,1-4H3,(H,23,24)(H,25,27)