N'-(4-methoxyquinolin-2-yl)-N-[[1-(phenylsulfonyl)indol-3-yl]methyl]propane-1,3-diamine

Systemtic Name: N'-(4-methoxyquinolin-2-yl)-N-[[1-(phenylsulfonyl)indol-3-yl]methyl]propane-1,3-diamine Openeye Name: N-[[1-(benzenesulfonyl)indol-3-yl]methyl]-N'-(4-methoxy-2-quinolyl)propane-1,3-diamine CAS Name: N-[[1-(benzenesulfonyl)-3-indolyl]methyl]-N'-(4-methoxy-2-quinolinyl)propane-1,3-diamine IUPAC Name: N-[[1-(benzenesulfonyl)indol-3-yl]methyl]-N'-(4-methoxyquinolin-2-yl)propane-1,3-diamine Traditional Name: (1-besylindol-3-yl)methyl-[3-[(4-methoxy-2-quinolyl)amino]propyl]amine Formula: C28H28N4O3S MolecularWeight: 500.61192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC2=CC=CC=C21)NCCCNCC3=CN(C4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC(=NC2=CC=CC=C21)NCCCNCC3=CN(C4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O3S/c1-35-27-18-28(31-25-14-7-5-13-24(25)27)30-17-9-16-29-19-21-20-32(26-15-8-6-12-23(21)26)36(33,34)22-10-3-2-4-11-22/h2-8,10-15,18,20,29H,9,16-17,19H2,1H3,(H,30,31)