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

Systemtic Name: 6-[(Z)-1-(2-fluorophenyl)but-1-en-3-ynyl]-1-propan-2-ylsulfonyl-benzimidazol-2-amine Openeye Name: 6-[(Z)-1-(2-fluorophenyl)but-1-en-3-ynyl]-1-isopropylsulfonyl-benzimidazol-2-amine CAS Name: 6-[(Z)-1-(2-fluorophenyl)but-1-en-3-ynyl]-1-propan-2-ylsulfonyl-2-benzimidazolamine IUPAC Name: 6-[(Z)-1-(2-fluorophenyl)but-1-en-3-ynyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine Traditional Name: [6-[(Z)-1-(2-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=C3F)N=C1N

Isomeric SMILES

CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)/C(=C/C#C)/C3=CC=CC=C3F)N=C1N

InChI

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