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

Systemtic Name: 6-[(E)-1-(3-fluorophenyl)pent-1-en-3-ynyl]-1-propan-2-ylsulfonyl-benzimidazol-2-amine Openeye Name: 6-[(E)-1-(3-fluorophenyl)pent-1-en-3-ynyl]-1-isopropylsulfonyl-benzimidazol-2-amine CAS Name: 6-[(E)-1-(3-fluorophenyl)pent-1-en-3-ynyl]-1-propan-2-ylsulfonyl-2-benzimidazolamine IUPAC Name: 6-[(E)-1-(3-fluorophenyl)pent-1-en-3-ynyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine Traditional Name: [6-[(E)-1-(3-fluorophenyl)pent-1-en-3-ynyl]-1-isopropylsulfonyl-benzimidazol-2-yl]amine Formula: C21H20FN3O2S MolecularWeight: 397.465803

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC=C(C1=CC(=CC=C1)F)C2=CC3=C(C=C2)N=C(N3S(=O)(=O)C(C)C)N

Isomeric SMILES

CC#C/C=C(/C1=CC(=CC=C1)F)\C2=CC3=C(C=C2)N=C(N3S(=O)(=O)C(C)C)N

InChI

InChI=1S/C21H20FN3O2S/c1-4-5-9-18(15-7-6-8-17(22)12-15)16-10-11-19-20(13-16)25(21(23)24-19)28(26,27)14(2)3/h6-14H,1-3H3,(H2,23,24)/b18-9-