4-bromanyl-N-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]-2-fluoranyl-aniline

Systemtic Name: 4-bromanyl-N-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]-2-fluoranyl-aniline Openeye Name: 4-bromo-N-[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl]-2-fluoro-aniline CAS Name: 4-bromo-N-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl]-2-fluoroaniline IUPAC Name: 4-bromo-N-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]-2-fluoroaniline Traditional Name: (4-bromo-2-fluoro-phenyl)-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl]amine Formula: C21H24BrFN4O2S MolecularWeight: 495.408263

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CNC4=C(C=C(C=C4)Br)F

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CNC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C21H24BrFN4O2S/c1-2-27-20-9-7-16(30(28,29)26-10-4-3-5-11-26)13-19(20)25-21(27)14-24-18-8-6-15(22)12-17(18)23/h6-9,12-13,24H,2-5,10-11,14H2,1H3