N-[4-(4-azanyl-2-butyl-imidazo[4,5-c]quinolin-1-yl)butyl]quinoline-8-sulfonamide

Systemtic Name: N-[4-(4-azanyl-2-butyl-imidazo[4,5-c]quinolin-1-yl)butyl]quinoline-8-sulfonamide Openeye Name: N-[4-(4-amino-2-butyl-imidazo[4,5-c]quinolin-1-yl)butyl]quinoline-8-sulfonamide CAS Name: N-[4-(4-amino-2-butyl-1-imidazo[4,5-c]quinolinyl)butyl]-8-quinolinesulfonamide IUPAC Name: N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]quinoline-8-sulfonamide Traditional Name: N-[4-(4-amino-2-butyl-imidazo[4,5-c]quinolin-1-yl)butyl]quinoline-8-sulfonamide Formula: C27H30N6O2S MolecularWeight: 502.6311

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CCCCNS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C5=CC=CC=C5N=C2N

Isomeric SMILES

CCCCC1=NC2=C(N1CCCCNS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C5=CC=CC=C5N=C2N

InChI

InChI=1S/C27H30N6O2S/c1-2-3-15-23-32-25-26(20-12-4-5-13-21(20)31-27(25)28)33(23)18-7-6-17-30-36(34,35)22-14-8-10-19-11-9-16-29-24(19)22/h4-5,8-14,16,30H,2-3,6-7,15,17-18H2,1H3,(H2,28,31)