N-[4-[5-(4-azanylbutan-2-yl)-9bH-imidazo[4,5-c]quinolin-1-yl]butyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[4-[5-(4-azanylbutan-2-yl)-9bH-imidazo[4,5-c]quinolin-1-yl]butyl]isoquinoline-5-sulfonamide Openeye Name: N-[4-[5-(3-amino-1-methyl-propyl)-9bH-imidazo[4,5-c]quinolin-1-yl]butyl]isoquinoline-5-sulfonamide CAS Name: N-[4-[5-(4-aminobutan-2-yl)-9bH-imidazo[4,5-c]quinolin-1-yl]butyl]-5-isoquinolinesulfonamide IUPAC Name: N-[4-[5-(4-aminobutan-2-yl)-9bH-imidazo[4,5-c]quinolin-1-yl]butyl]isoquinoline-5-sulfonamide Traditional Name: N-[4-[5-(3-amino-1-methyl-propyl)-9bH-imidazo[4,5-c]quinolin-1-yl]butyl]isoquinoline-5-sulfonamide Formula: C27H32N6O2S MolecularWeight: 504.64698

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN)N1C=C2C(C3=CC=CC=C31)N(C=N2)CCCCNS(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CC(CCN)N1C=C2C(C3=CC=CC=C31)N(C=N2)CCCCNS(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C27H32N6O2S/c1-20(11-13-28)33-18-24-27(23-8-2-3-9-25(23)33)32(19-30-24)16-5-4-14-31-36(34,35)26-10-6-7-21-17-29-15-12-22(21)26/h2-3,6-10,12,15,17-20,27,31H,4-5,11,13-14,16,28H2,1H3