N-[[1-azanyl-3-phenyl-3-(trifluoromethyl)-4H-isoquinolin-6-yl]methyl]methanesulfonamide

Systemtic Name: N-[[1-azanyl-3-phenyl-3-(trifluoromethyl)-4H-isoquinolin-6-yl]methyl]methanesulfonamide Openeye Name: N-[[1-amino-3-phenyl-3-(trifluoromethyl)-4H-isoquinolin-6-yl]methyl]methanesulfonamide CAS Name: N-[[1-amino-3-phenyl-3-(trifluoromethyl)-4H-isoquinolin-6-yl]methyl]methanesulfonamide IUPAC Name: N-[[1-amino-3-phenyl-3-(trifluoromethyl)-4H-isoquinolin-6-yl]methyl]methanesulfonamide Traditional Name: N-[[1-amino-3-phenyl-3-(trifluoromethyl)-4H-isoquinolin-6-yl]methyl]methanesulfonamide Formula: C18H18F3N3O2S MolecularWeight: 397.41463

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCC1=CC2=C(C=C1)C(=NC(C2)(C3=CC=CC=C3)C(F)(F)F)N

Isomeric SMILES

CS(=O)(=O)NCC1=CC2=C(C=C1)C(=NC(C2)(C3=CC=CC=C3)C(F)(F)F)N

InChI

InChI=1S/C18H18F3N3O2S/c1-27(25,26)23-11-12-7-8-15-13(9-12)10-17(18(19,20)21,24-16(15)22)14-5-3-2-4-6-14/h2-9,23H,10-11H2,1H3,(H2,22,24)