N-[(1S)-1-(1H-benzimidazol-2-yl)-2-[3-bromanyl-4-[1,1,3-tris(oxidanylidene)-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-[3-bromanyl-4-[1,1,3-tris(oxidanylidene)-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-[3-bromo-4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]benzenesulfonamide; 2,2,2-trifluoroacetic acid CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-[3-bromo-4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]benzenesulfonamide; 2,2,2-trifluoroacetic acid IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-[3-bromo-4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]benzenesulfonamide; 2,2,2-trifluoroacetic acid Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-[3-bromo-4-(1,1,3-triketo-1,2-thiazolidin-5-yl)phenyl]ethyl]benzenesulfonamide; 2,2,2-trifluoroacetic acid Formula: C26H22BrF3N4O7S2 MolecularWeight: 703.50469

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Descriptors Computed from Structure

Canonical SMILES:

C1C(S(=O)(=O)NC1=O)C2=C(C=C(C=C2)CC(C3=NC4=CC=CC=C4N3)NS(=O)(=O)C5=CC=CC=C5)Br.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1C(S(=O)(=O)NC1=O)C2=C(C=C(C=C2)C[C@@H](C3=NC4=CC=CC=C4N3)NS(=O)(=O)C5=CC=CC=C5)Br.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C24H21BrN4O5S2.C2HF3O2/c25-18-12-15(10-11-17(18)22-14-23(30)29-36(22,33)34)13-21(24-26-19-8-4-5-9-20(19)27-24)28-35(31,32)16-6-2-1-3-7-16;3-2(4,5)1(6)7/h1-12,21-22,28H,13-14H2,(H,26,27)(H,29,30);(H,6,7)/t21-,22?;/m0./s1