2-phenoxy-4-(phenylsulfonylamino)-2-[[3-(quinolin-2-ylmethoxy)phenyl]carbonylamino]butanoic acid

Systemtic Name: 2-phenoxy-4-(phenylsulfonylamino)-2-[[3-(quinolin-2-ylmethoxy)phenyl]carbonylamino]butanoic acid Openeye Name: 4-(benzenesulfonamido)-2-phenoxy-2-[[3-(2-quinolylmethoxy)benzoyl]amino]butanoic acid CAS Name: 4-(benzenesulfonamido)-2-[[oxo-[3-(2-quinolinylmethoxy)phenyl]methyl]amino]-2-phenoxybutanoic acid IUPAC Name: 4-(benzenesulfonamido)-2-phenoxy-2-[[3-(quinolin-2-ylmethoxy)benzoyl]amino]butanoic acid Traditional Name: 4-(benzenesulfonamido)-2-phenoxy-2-[[3-(2-quinolylmethoxy)benzoyl]amino]butyric acid Formula: C33H29N3O7S MolecularWeight: 611.66426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(CCNS(=O)(=O)C2=CC=CC=C2)(C(=O)O)NC(=O)C3=CC(=CC=C3)OCC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1=CC=C(C=C1)OC(CCNS(=O)(=O)C2=CC=CC=C2)(C(=O)O)NC(=O)C3=CC(=CC=C3)OCC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C33H29N3O7S/c37-31(25-11-9-14-28(22-25)42-23-26-19-18-24-10-7-8-17-30(24)35-26)36-33(32(38)39,43-27-12-3-1-4-13-27)20-21-34-44(40,41)29-15-5-2-6-16-29/h1-19,22,34H,20-21,23H2,(H,36,37)(H,38,39)