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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC2=CC=CC=C21)NCCCNC(C3=CNC4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC(=NC2=CC=CC=C21)NCCCNC(C3=CNC4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5

InChI

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