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

Systemtic Name: N-[4-(4-azanyl-2-butyl-imidazo[4,5-c]quinolin-1-yl)butyl]isoquinoline-5-sulfonamide Openeye Name: N-[4-(4-amino-2-butyl-imidazo[4,5-c]quinolin-1-yl)butyl]isoquinoline-5-sulfonamide CAS Name: N-[4-(4-amino-2-butyl-1-imidazo[4,5-c]quinolinyl)butyl]-5-isoquinolinesulfonamide IUPAC Name: N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]isoquinoline-5-sulfonamide Traditional Name: N-[4-(4-amino-2-butyl-imidazo[4,5-c]quinolin-1-yl)butyl]isoquinoline-5-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=C3C=CN=C4)C5=CC=CC=C5N=C2N

Isomeric SMILES

CCCCC1=NC2=C(N1CCCCNS(=O)(=O)C3=CC=CC4=C3C=CN=C4)C5=CC=CC=C5N=C2N

InChI

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