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

Systemtic Name: 6-[(Z)-1-[3,4-bis(fluoranyl)phenyl]but-1-en-3-ynyl]-1-propan-2-ylsulfonyl-benzimidazol-2-amine Openeye Name: 6-[(Z)-1-(3,4-difluorophenyl)but-1-en-3-ynyl]-1-isopropylsulfonyl-benzimidazol-2-amine CAS Name: 6-[(Z)-1-(3,4-difluorophenyl)but-1-en-3-ynyl]-1-propan-2-ylsulfonyl-2-benzimidazolamine IUPAC Name: 6-[(Z)-1-(3,4-difluorophenyl)but-1-en-3-ynyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine Traditional Name: [6-[(Z)-1-(3,4-difluorophenyl)but-1-en-3-ynyl]-1-isopropylsulfonyl-benzimidazol-2-yl]amine Formula: C20H17F2N3O2S MolecularWeight: 401.429686

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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)N=C1N

Isomeric SMILES

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

InChI

InChI=1S/C20H17F2N3O2S/c1-4-5-15(13-6-8-16(21)17(22)10-13)14-7-9-18-19(11-14)25(20(23)24-18)28(26,27)12(2)3/h1,5-12H,2-3H3,(H2,23,24)/b15-5+