1-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-1-[4-(trifluoromethyloxy)phenyl]but-3-yn-1-ol

Systemtic Name: 1-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-1-[4-(trifluoromethyloxy)phenyl]but-3-yn-1-ol Openeye Name: 1-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-1-[4-(trifluoromethoxy)phenyl]but-3-yn-1-ol CAS Name: 1-(2-amino-3-propan-2-ylsulfonyl-5-benzimidazolyl)-1-[4-(trifluoromethoxy)phenyl]-3-butyn-1-ol IUPAC Name: 1-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-1-[4-(trifluoromethoxy)phenyl]but-3-yn-1-ol Traditional Name: 1-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-1-[4-(trifluoromethoxy)phenyl]but-3-yn-1-ol Formula: C21H20F3N3O4S MolecularWeight: 467.46141

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C(CC#C)(C3=CC=C(C=C3)OC(F)(F)F)O)N=C1N

Isomeric SMILES

CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C(CC#C)(C3=CC=C(C=C3)OC(F)(F)F)O)N=C1N

InChI

InChI=1S/C21H20F3N3O4S/c1-4-11-20(28,14-5-8-16(9-6-14)31-21(22,23)24)15-7-10-17-18(12-15)27(19(25)26-17)32(29,30)13(2)3/h1,5-10,12-13,28H,11H2,2-3H3,(H2,25,26)