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

Systemtic Name: 1-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-1-[3,4-bis(fluoranyl)phenyl]but-3-yn-1-ol Openeye Name: 1-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-1-(3,4-difluorophenyl)but-3-yn-1-ol CAS Name: 1-(2-amino-3-propan-2-ylsulfonyl-5-benzimidazolyl)-1-(3,4-difluorophenyl)-3-butyn-1-ol IUPAC Name: 1-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-1-(3,4-difluorophenyl)but-3-yn-1-ol Traditional Name: 1-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-1-(3,4-difluorophenyl)but-3-yn-1-ol Formula: C20H19F2N3O3S MolecularWeight: 419.444966

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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)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)F)F)O)N=C1N

InChI

InChI=1S/C20H19F2N3O3S/c1-4-9-20(26,13-5-7-15(21)16(22)10-13)14-6-8-17-18(11-14)25(19(23)24-17)29(27,28)12(2)3/h1,5-8,10-12,26H,9H2,2-3H3,(H2,23,24)