N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)quinoline-8-sulfonamide

Systemtic Name: N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)quinoline-8-sulfonamide Openeye Name: N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-isobutyl-quinoline-8-sulfonamide CAS Name: N-[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl]-N-(2-methylpropyl)-8-quinolinesulfonamide IUPAC Name: N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)quinoline-8-sulfonamide Traditional Name: N-[[1-(3-fluorobenzyl)pyrrol-2-yl]methyl]-N-isobutyl-quinoline-8-sulfonamide Formula: C25H26FN3O2S MolecularWeight: 451.556243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=CN1CC2=CC(=CC=C2)F)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC(C)CN(CC1=CC=CN1CC2=CC(=CC=C2)F)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C25H26FN3O2S/c1-19(2)16-29(32(30,31)24-12-4-8-21-9-5-13-27-25(21)24)18-23-11-6-14-28(23)17-20-7-3-10-22(26)15-20/h3-15,19H,16-18H2,1-2H3