7-fluoranyl-6-[(E)-1-phenylbut-1-en-3-ynyl]-1-propan-2-ylsulfonyl-benzimidazol-2-amine

Systemtic Name: 7-fluoranyl-6-[(E)-1-phenylbut-1-en-3-ynyl]-1-propan-2-ylsulfonyl-benzimidazol-2-amine Openeye Name: 7-fluoro-1-isopropylsulfonyl-6-[(E)-1-phenylbut-1-en-3-ynyl]benzimidazol-2-amine CAS Name: 7-fluoro-6-[(E)-1-phenylbut-1-en-3-ynyl]-1-propan-2-ylsulfonyl-2-benzimidazolamine IUPAC Name: 7-fluoro-6-[(E)-1-phenylbut-1-en-3-ynyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine Traditional Name: [7-fluoro-1-isopropylsulfonyl-6-[(E)-1-phenylbut-1-en-3-ynyl]benzimidazol-2-yl]amine Formula: C20H18FN3O2S MolecularWeight: 383.439223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1C2=C(C=CC(=C2F)C(=CC#C)C3=CC=CC=C3)N=C1N

Isomeric SMILES

CC(C)S(=O)(=O)N1C2=C(C=CC(=C2F)/C(=C/C#C)/C3=CC=CC=C3)N=C1N

InChI

InChI=1S/C20H18FN3O2S/c1-4-8-15(14-9-6-5-7-10-14)16-11-12-17-19(18(16)21)24(20(22)23-17)27(25,26)13(2)3/h1,5-13H,2-3H3,(H2,22,23)/b15-8+