1-propan-2-ylsulfonyl-6-[(E)-1-[4-(trifluoromethyloxy)phenyl]but-1-en-3-ynyl]benzimidazol-2-amine

Systemtic Name: 1-propan-2-ylsulfonyl-6-[(E)-1-[4-(trifluoromethyloxy)phenyl]but-1-en-3-ynyl]benzimidazol-2-amine Openeye Name: 1-isopropylsulfonyl-6-[(E)-1-[4-(trifluoromethoxy)phenyl]but-1-en-3-ynyl]benzimidazol-2-amine CAS Name: 1-propan-2-ylsulfonyl-6-[(E)-1-[4-(trifluoromethoxy)phenyl]but-1-en-3-ynyl]-2-benzimidazolamine IUPAC Name: 1-propan-2-ylsulfonyl-6-[(E)-1-[4-(trifluoromethoxy)phenyl]but-1-en-3-ynyl]benzimidazol-2-amine Traditional Name: [1-isopropylsulfonyl-6-[(E)-1-[4-(trifluoromethoxy)phenyl]but-1-en-3-ynyl]benzimidazol-2-yl]amine Formula: C21H18F3N3O3S MolecularWeight: 449.44613

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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)N=C1N

Isomeric SMILES

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

InChI

InChI=1S/C21H18F3N3O3S/c1-4-5-17(14-6-9-16(10-7-14)30-21(22,23)24)15-8-11-18-19(12-15)27(20(25)26-18)31(28,29)13(2)3/h1,5-13H,2-3H3,(H2,25,26)/b17-5+