1-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-1-(3-fluoranyl-4-methoxy-phenyl)but-3-yn-1-ol

Systemtic Name: 1-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-1-(3-fluoranyl-4-methoxy-phenyl)but-3-yn-1-ol Openeye Name: 1-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-1-(3-fluoro-4-methoxy-phenyl)but-3-yn-1-ol CAS Name: 1-(2-amino-3-propan-2-ylsulfonyl-5-benzimidazolyl)-1-(3-fluoro-4-methoxyphenyl)-3-butyn-1-ol IUPAC Name: 1-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)but-3-yn-1-ol Traditional Name: 1-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-1-(3-fluoro-4-methoxy-phenyl)but-3-yn-1-ol Formula: C21H22FN3O4S MolecularWeight: 431.480483

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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)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)O)N=C1N

InChI

InChI=1S/C21H22FN3O4S/c1-5-10-21(26,14-7-9-19(29-4)16(22)11-14)15-6-8-17-18(12-15)25(20(23)24-17)30(27,28)13(2)3/h1,6-9,11-13,26H,10H2,2-4H3,(H2,23,24)