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

Systemtic Name: N'-[1H-indol-3-yl(phenylsulfonyl)methyl]-N-quinolin-2-yl-propane-1,3-diamine Openeye Name: N'-[benzenesulfonyl(1H-indol-3-yl)methyl]-N-(2-quinolyl)propane-1,3-diamine CAS Name: N'-[benzenesulfonyl(1H-indol-3-yl)methyl]-N-(2-quinolinyl)propane-1,3-diamine IUPAC Name: N'-[benzenesulfonyl(1H-indol-3-yl)methyl]-N-quinolin-2-ylpropane-1,3-diamine Traditional Name: [besyl(1H-indol-3-yl)methyl]-[3-(2-quinolylamino)propyl]amine Formula: C27H26N4O2S MolecularWeight: 470.58594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C(C2=CNC3=CC=CC=C32)NCCCNC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C(C2=CNC3=CC=CC=C32)NCCCNC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H26N4O2S/c32-34(33,21-10-2-1-3-11-21)27(23-19-30-25-14-7-5-12-22(23)25)29-18-8-17-28-26-16-15-20-9-4-6-13-24(20)31-26/h1-7,9-16,19,27,29-30H,8,17-18H2,(H,28,31)