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

Systemtic Name: N-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]-2-fluoranyl-aniline Openeye Name: N-[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl]-2-fluoro-aniline CAS Name: N-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl]-2-fluoroaniline IUPAC Name: N-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]-2-fluoroaniline Traditional Name: (1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl-(2-fluorophenyl)amine Formula: C21H25FN4O2S MolecularWeight: 416.512203

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CNC4=CC=CC=C4F

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CNC4=CC=CC=C4F

InChI

InChI=1S/C21H25FN4O2S/c1-2-26-20-11-10-16(29(27,28)25-12-6-3-7-13-25)14-19(20)24-21(26)15-23-18-9-5-4-8-17(18)22/h4-5,8-11,14,23H,2-3,6-7,12-13,15H2,1H3