N-[4-[(7-chloranylquinolin-4-yl)amino]cyclohexyl]-2-nitro-4-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[4-[(7-chloranylquinolin-4-yl)amino]cyclohexyl]-2-nitro-4-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[4-[(7-chloro-4-quinolyl)amino]cyclohexyl]-2-nitro-4-(trifluoromethyl)benzenesulfonamide CAS Name: N-[4-[(7-chloro-4-quinolinyl)amino]cyclohexyl]-2-nitro-4-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-nitro-4-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[4-[(7-chloro-4-quinolyl)amino]cyclohexyl]-2-nitro-4-(trifluoromethyl)benzenesulfonamide Formula: C22H20ClF3N4O4S MolecularWeight: 528.93181

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2=C3C=CC(=CC3=NC=C2)Cl)NS(=O)(=O)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CC(CCC1NC2=C3C=CC(=CC3=NC=C2)Cl)NS(=O)(=O)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C22H20ClF3N4O4S/c23-14-2-7-17-18(9-10-27-19(17)12-14)28-15-3-5-16(6-4-15)29-35(33,34)21-8-1-13(22(24,25)26)11-20(21)30(31)32/h1-2,7-12,15-16,29H,3-6H2,(H,27,28)