N-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]-4-fluoranyl-3-nitro-aniline

Systemtic Name: N-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]-4-fluoranyl-3-nitro-aniline Openeye Name: N-[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl]-4-fluoro-3-nitro-aniline CAS Name: N-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl]-4-fluoro-3-nitroaniline IUPAC Name: N-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]-4-fluoro-3-nitroaniline Traditional Name: (1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl-(4-fluoro-3-nitro-phenyl)amine Formula: C21H24FN5O4S MolecularWeight: 461.509763

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CNC4=CC(=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CNC4=CC(=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C21H24FN5O4S/c1-2-26-19-9-7-16(32(30,31)25-10-4-3-5-11-25)13-18(19)24-21(26)14-23-15-6-8-17(22)20(12-15)27(28)29/h6-9,12-13,23H,2-5,10-11,14H2,1H3