6,7-dimethoxy-2-(4-morpholin-4-ylsulfonyl-1,4-diazepan-1-yl)-5-phenyl-quinolin-4-amine

Systemtic Name: 6,7-dimethoxy-2-(4-morpholin-4-ylsulfonyl-1,4-diazepan-1-yl)-5-phenyl-quinolin-4-amine Openeye Name: 6,7-dimethoxy-2-(4-morpholinosulfonyl-1,4-diazepan-1-yl)-5-phenyl-quinolin-4-amine CAS Name: 6,7-dimethoxy-2-[4-(4-morpholinylsulfonyl)-1,4-diazepan-1-yl]-5-phenyl-4-quinolinamine IUPAC Name: 6,7-dimethoxy-2-(4-morpholin-4-ylsulfonyl-1,4-diazepan-1-yl)-5-phenylquinolin-4-amine Traditional Name: [6,7-dimethoxy-2-(4-morpholinosulfonyl-1,4-diazepan-1-yl)-5-phenyl-4-quinolyl]amine Formula: C26H33N5O5S MolecularWeight: 527.63572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=CC(=NC2=C1)N3CCCN(CC3)S(=O)(=O)N4CCOCC4)N)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C(=C2C(=CC(=NC2=C1)N3CCCN(CC3)S(=O)(=O)N4CCOCC4)N)C5=CC=CC=C5)OC

InChI

InChI=1S/C26H33N5O5S/c1-34-22-18-21-25(24(26(22)35-2)19-7-4-3-5-8-19)20(27)17-23(28-21)29-9-6-10-30(12-11-29)37(32,33)31-13-15-36-16-14-31/h3-5,7-8,17-18H,6,9-16H2,1-2H3,(H2,27,28)