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

Systemtic Name: 1-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-1-[3-(trifluoromethyl)phenyl]but-3-yn-1-ol Openeye Name: 1-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-1-[3-(trifluoromethyl)phenyl]but-3-yn-1-ol CAS Name: 1-(2-amino-3-propan-2-ylsulfonyl-5-benzimidazolyl)-1-[3-(trifluoromethyl)phenyl]-3-butyn-1-ol IUPAC Name: 1-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-1-[3-(trifluoromethyl)phenyl]but-3-yn-1-ol Traditional Name: 1-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-1-[3-(trifluoromethyl)phenyl]but-3-yn-1-ol Formula: C21H20F3N3O3S MolecularWeight: 451.46201

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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(=CC=C3)C(F)(F)F)O)N=C1N

Isomeric SMILES

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

InChI

InChI=1S/C21H20F3N3O3S/c1-4-10-20(28,14-6-5-7-16(11-14)21(22,23)24)15-8-9-17-18(12-15)27(19(25)26-17)31(29,30)13(2)3/h1,5-9,11-13,28H,10H2,2-3H3,(H2,25,26)