4-chloranyl-N-[3-[(3-fluoranyl-4-methyl-phenyl)amino]-6-methyl-quinoxalin-2-yl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[3-[(3-fluoranyl-4-methyl-phenyl)amino]-6-methyl-quinoxalin-2-yl]benzenesulfonamide Openeye Name: 4-chloro-N-[3-(3-fluoro-4-methyl-anilino)-6-methyl-quinoxalin-2-yl]benzenesulfonamide CAS Name: 4-chloro-N-[3-(3-fluoro-4-methylanilino)-6-methyl-2-quinoxalinyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[3-(3-fluoro-4-methylanilino)-6-methylquinoxalin-2-yl]benzenesulfonamide Traditional Name: 4-chloro-N-[3-(3-fluoro-4-methyl-anilino)-6-methyl-quinoxalin-2-yl]benzenesulfonamide Formula: C22H18ClFN4O2S MolecularWeight: 456.920323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C(=N2)NC3=CC(=C(C=C3)C)F)NS(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C(=N2)NC3=CC(=C(C=C3)C)F)NS(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H18ClFN4O2S/c1-13-3-10-19-20(11-13)27-21(25-16-7-4-14(2)18(24)12-16)22(26-19)28-31(29,30)17-8-5-15(23)6-9-17/h3-12H,1-2H3,(H,25,27)(H,26,28)