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

Systemtic Name: 4-[(4-methylphenyl)sulfonylamino]-2-phenoxy-2-[[3-(quinolin-2-ylmethoxy)phenyl]carbonylamino]butanoic acid Openeye Name: 2-phenoxy-4-(p-tolylsulfonylamino)-2-[[3-(2-quinolylmethoxy)benzoyl]amino]butanoic acid CAS Name: 4-[(4-methylphenyl)sulfonylamino]-2-[[oxo-[3-(2-quinolinylmethoxy)phenyl]methyl]amino]-2-phenoxybutanoic acid IUPAC Name: 4-[(4-methylphenyl)sulfonylamino]-2-phenoxy-2-[[3-(quinolin-2-ylmethoxy)benzoyl]amino]butanoic acid Traditional Name: 2-phenoxy-2-[[3-(2-quinolylmethoxy)benzoyl]amino]-4-(tosylamino)butyric acid Formula: C34H31N3O7S MolecularWeight: 625.69084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(C(=O)O)(NC(=O)C2=CC(=CC=C2)OCC3=NC4=CC=CC=C4C=C3)OC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(C(=O)O)(NC(=O)C2=CC(=CC=C2)OCC3=NC4=CC=CC=C4C=C3)OC5=CC=CC=C5

InChI

InChI=1S/C34H31N3O7S/c1-24-14-18-30(19-15-24)45(41,42)35-21-20-34(33(39)40,44-28-10-3-2-4-11-28)37-32(38)26-9-7-12-29(22-26)43-23-27-17-16-25-8-5-6-13-31(25)36-27/h2-19,22,35H,20-21,23H2,1H3,(H,37,38)(H,39,40)