2-(2-ethylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(2-ethylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(2-ethylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone CAS Name: 2-(2-ethyl-1-benzimidazolyl)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(2-ethylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(2-ethylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Formula: C22H25FN4O3S MolecularWeight: 444.522303

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2N1CC(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=NC2=CC=CC=C2N1CC(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H25FN4O3S/c1-2-21-24-19-6-3-4-7-20(19)27(21)16-22(28)25-12-5-13-26(15-14-25)31(29,30)18-10-8-17(23)9-11-18/h3-4,6-11H,2,5,12-16H2,1H3