1-(2-azanyl-6-fluoranyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-1-phenyl-but-3-yn-1-ol

Systemtic Name: 1-(2-azanyl-6-fluoranyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-1-phenyl-but-3-yn-1-ol Openeye Name: 1-(2-amino-6-fluoro-3-isopropylsulfonyl-benzimidazol-5-yl)-1-phenyl-but-3-yn-1-ol CAS Name: 1-(2-amino-6-fluoro-3-propan-2-ylsulfonyl-5-benzimidazolyl)-1-phenyl-3-butyn-1-ol IUPAC Name: 1-(2-amino-6-fluoro-3-propan-2-ylsulfonylbenzimidazol-5-yl)-1-phenylbut-3-yn-1-ol Traditional Name: 1-(2-amino-6-fluoro-3-isopropylsulfonyl-benzimidazol-5-yl)-1-phenyl-but-3-yn-1-ol Formula: C20H20FN3O3S MolecularWeight: 401.454503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN3O3S/c1-4-10-20(25,14-8-6-5-7-9-14)15-11-18-17(12-16(15)21)23-19(22)24(18)28(26,27)13(2)3/h1,5-9,11-13,25H,10H2,2-3H3,(H2,22,23)