6-[(E)-1-(3-fluorophenyl)but-1-en-3-ynyl]-1-propan-2-ylsulfonyl-benzimidazol-2-amine

Systemtic Name: 6-[(E)-1-(3-fluorophenyl)but-1-en-3-ynyl]-1-propan-2-ylsulfonyl-benzimidazol-2-amine Openeye Name: 6-[(E)-1-(3-fluorophenyl)but-1-en-3-ynyl]-1-isopropylsulfonyl-benzimidazol-2-amine CAS Name: 6-[(E)-1-(3-fluorophenyl)but-1-en-3-ynyl]-1-propan-2-ylsulfonyl-2-benzimidazolamine IUPAC Name: 6-[(E)-1-(3-fluorophenyl)but-1-en-3-ynyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine Traditional Name: [6-[(E)-1-(3-fluorophenyl)but-1-en-3-ynyl]-1-isopropylsulfonyl-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(=C2)C(=CC#C)C3=CC(=CC=C3)F)N=C1N

Isomeric SMILES

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

InChI

InChI=1S/C20H18FN3O2S/c1-4-6-17(14-7-5-8-16(21)11-14)15-9-10-18-19(12-15)24(20(22)23-18)27(25,26)13(2)3/h1,5-13H,2-3H3,(H2,22,23)/b17-6-