1-butyl-N,N-diethyl-2-[[(4-fluoranyl-3-nitro-phenyl)amino]methyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-N,N-diethyl-2-[[(4-fluoranyl-3-nitro-phenyl)amino]methyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-N,N-diethyl-2-[(4-fluoro-3-nitro-anilino)methyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-N,N-diethyl-2-[(4-fluoro-3-nitroanilino)methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-N,N-diethyl-2-[(4-fluoro-3-nitroanilino)methyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-N,N-diethyl-2-[(4-fluoro-3-nitro-anilino)methyl]benzimidazole-5-sulfonamide Formula: C22H28FN5O4S MolecularWeight: 477.552223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1CNC3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1CNC3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C22H28FN5O4S/c1-4-7-12-27-20-11-9-17(33(31,32)26(5-2)6-3)14-19(20)25-22(27)15-24-16-8-10-18(23)21(13-16)28(29)30/h8-11,13-14,24H,4-7,12,15H2,1-3H3