1,2-dihydropyridine; N-[2-[4-(trifluoromethyl)phenyl]ethyl]isoquinoline-5-sulfonamide

Systemtic Name: 1,2-dihydropyridine; N-[2-[4-(trifluoromethyl)phenyl]ethyl]isoquinoline-5-sulfonamide Openeye Name: 1,2-dihydropyridine; N-[2-[4-(trifluoromethyl)phenyl]ethyl]isoquinoline-5-sulfonamide CAS Name: 1,2-dihydropyridine; N-[2-[4-(trifluoromethyl)phenyl]ethyl]-5-isoquinolinesulfonamide IUPAC Name: 1,2-dihydropyridine; N-[2-[4-(trifluoromethyl)phenyl]ethyl]isoquinoline-5-sulfonamide Traditional Name: 1,2-dihydropyridine; N-[2-[4-(trifluoromethyl)phenyl]ethyl]isoquinoline-5-sulfonamide Formula: C23H22F3N3O2S MolecularWeight: 461.49989

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=CN1.C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1C=CC=CN1.C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H15F3N2O2S.C5H7N/c19-18(20,21)15-6-4-13(5-7-15)8-11-23-26(24,25)17-3-1-2-14-12-22-10-9-16(14)17;1-2-4-6-5-3-1/h1-7,9-10,12,23H,8,11H2;1-4,6H,5H2