6-[(Z)-1-(3-fluoranyl-4-methoxy-phenyl)but-1-en-3-ynyl]-1-propan-2-ylsulfonyl-benzimidazol-2-amine

Systemtic Name: 6-[(Z)-1-(3-fluoranyl-4-methoxy-phenyl)but-1-en-3-ynyl]-1-propan-2-ylsulfonyl-benzimidazol-2-amine Openeye Name: 6-[(Z)-1-(3-fluoro-4-methoxy-phenyl)but-1-en-3-ynyl]-1-isopropylsulfonyl-benzimidazol-2-amine CAS Name: 6-[(Z)-1-(3-fluoro-4-methoxyphenyl)but-1-en-3-ynyl]-1-propan-2-ylsulfonyl-2-benzimidazolamine IUPAC Name: 6-[(Z)-1-(3-fluoro-4-methoxyphenyl)but-1-en-3-ynyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine Traditional Name: [6-[(Z)-1-(3-fluoro-4-methoxy-phenyl)but-1-en-3-ynyl]-1-isopropylsulfonyl-benzimidazol-2-yl]amine Formula: C21H20FN3O3S MolecularWeight: 413.465203

Click to see the large picture

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)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)N=C1N

InChI

InChI=1S/C21H20FN3O3S/c1-5-6-16(14-8-10-20(28-4)17(22)11-14)15-7-9-18-19(12-15)25(21(23)24-18)29(26,27)13(2)3/h1,6-13H,2-4H3,(H2,23,24)/b16-6+