1-butyl-2-[(8-fluoranyl-3,4-dihydro-2H-quinolin-1-yl)methyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[(8-fluoranyl-3,4-dihydro-2H-quinolin-1-yl)methyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]benzimidazole-5-sulfonamide Formula: C21H25FN4O2S MolecularWeight: 416.512203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN3CCCC4=C3C(=CC=C4)F

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN3CCCC4=C3C(=CC=C4)F

InChI

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