N-[3-[4-azanyl-1-(propan-2-ylamino)-2-propyl-imidazo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide

Systemtic Name: N-[3-[4-azanyl-1-(propan-2-ylamino)-2-propyl-imidazo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide Openeye Name: N-[3-[4-amino-1-(isopropylamino)-2-propyl-imidazo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide CAS Name: N-[3-[4-amino-1-(propan-2-ylamino)-2-propyl-7-imidazo[4,5-c]quinolinyl]phenyl]methanesulfonamide IUPAC Name: N-[3-[4-amino-1-(propan-2-ylamino)-2-propylimidazo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide Traditional Name: N-[3-[4-amino-1-(isopropylamino)-2-propyl-imidazo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide Formula: C23H28N6O2S MolecularWeight: 452.57242

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1NC(C)C)C3=C(C=C(C=C3)C4=CC(=CC=C4)NS(=O)(=O)C)N=C2N

Isomeric SMILES

CCCC1=NC2=C(N1NC(C)C)C3=C(C=C(C=C3)C4=CC(=CC=C4)NS(=O)(=O)C)N=C2N

InChI

InChI=1S/C23H28N6O2S/c1-5-7-20-26-21-22(29(20)27-14(2)3)18-11-10-16(13-19(18)25-23(21)24)15-8-6-9-17(12-15)28-32(4,30)31/h6,8-14,27-28H,5,7H2,1-4H3,(H2,24,25)