N-[4-[[6,7-bis(oxidanyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenyl]-4-iodanyl-benzenesulfonamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N-[4-[[6,7-bis(oxidanyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenyl]-4-iodanyl-benzenesulfonamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-[4-[(6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenyl]-4-iodo-benzenesulfonamide; 2,2,2-trifluoroacetic acid CAS Name: N-[4-[(6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenyl]-4-iodobenzenesulfonamide; 2,2,2-trifluoroacetic acid IUPAC Name: N-[4-[(6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenyl]-4-iodobenzenesulfonamide; 2,2,2-trifluoroacetic acid Traditional Name: N-[4-[(6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenyl]-4-iodo-benzenesulfonamide; 2,2,2-trifluoroacetic acid Formula: C24H22F3IN2O6S MolecularWeight: 650.40596

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)I.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)I.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C22H21IN2O4S.C2HF3O2/c23-16-3-7-18(8-4-16)30(28,29)25-17-5-1-14(2-6-17)11-20-19-13-22(27)21(26)12-15(19)9-10-24-20;3-2(4,5)1(6)7/h1-8,12-13,20,24-27H,9-11H2;(H,6,7)