3-[4-[(2-ethoxyphenyl)-(4-morpholin-4-ylacridin-9-yl)oxycarbonyl-sulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(2-ethoxyphenyl)-(4-morpholin-4-ylacridin-9-yl)oxycarbonyl-sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[(2-ethoxyphenyl)-(4-morpholinoacridin-9-yl)oxycarbonyl-sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[(2-ethoxyphenyl)-[[4-(4-morpholinyl)-9-acridinyl]oxy-oxomethyl]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(2-ethoxyphenyl)-(4-morpholin-4-ylacridin-9-yl)oxycarbonylsulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[(4-morpholinoacridin-9-yl)oxycarbonyl-o-phenetyl-sulfamoyl]phenyl]propionic acid Formula: C35H33N3O8S MolecularWeight: 655.71682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N(C(=O)OC2=C3C=CC=C(C3=NC4=CC=CC=C42)N5CCOCC5)S(=O)(=O)C6=CC=C(C=C6)CCC(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1N(C(=O)OC2=C3C=CC=C(C3=NC4=CC=CC=C42)N5CCOCC5)S(=O)(=O)C6=CC=C(C=C6)CCC(=O)O

InChI

InChI=1S/C35H33N3O8S/c1-2-45-31-13-6-5-11-29(31)38(47(42,43)25-17-14-24(15-18-25)16-19-32(39)40)35(41)46-34-26-8-3-4-10-28(26)36-33-27(34)9-7-12-30(33)37-20-22-44-23-21-37/h3-15,17-18H,2,16,19-23H2,1H3,(H,39,40)