N-[3-[(4-butylphenyl)amino]-6,7-dimethyl-quinoxalin-2-yl]-2-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[3-[(4-butylphenyl)amino]-6,7-dimethyl-quinoxalin-2-yl]-2-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[3-(4-butylanilino)-6,7-dimethyl-quinoxalin-2-yl]-2-(trifluoromethyl)benzenesulfonamide CAS Name: N-[3-(4-butylanilino)-6,7-dimethyl-2-quinoxalinyl]-2-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[3-(4-butylanilino)-6,7-dimethylquinoxalin-2-yl]-2-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[3-(4-butylanilino)-6,7-dimethyl-quinoxalin-2-yl]-2-(trifluoromethyl)benzenesulfonamide Formula: C27H27F3N4O2S MolecularWeight: 528.58909

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC3=C(C=C(C(=C3)C)C)N=C2NS(=O)(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC3=C(C=C(C(=C3)C)C)N=C2NS(=O)(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C27H27F3N4O2S/c1-4-5-8-19-11-13-20(14-12-19)31-25-26(33-23-16-18(3)17(2)15-22(23)32-25)34-37(35,36)24-10-7-6-9-21(24)27(28,29)30/h6-7,9-16H,4-5,8H2,1-3H3,(H,31,32)(H,33,34)