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

Systemtic Name: 4-[(4-methylphenyl)sulfonylamino]-2-[3-(quinolin-2-ylmethoxy)phenoxy]butanoic acid Openeye Name: 4-(p-tolylsulfonylamino)-2-[3-(2-quinolylmethoxy)phenoxy]butanoic acid CAS Name: 4-[(4-methylphenyl)sulfonylamino]-2-[3-(2-quinolinylmethoxy)phenoxy]butanoic acid IUPAC Name: 4-[(4-methylphenyl)sulfonylamino]-2-[3-(quinolin-2-ylmethoxy)phenoxy]butanoic acid Traditional Name: 2-[3-(2-quinolylmethoxy)phenoxy]-4-(tosylamino)butyric acid Formula: C27H26N2O6S MolecularWeight: 506.57014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(C(=O)O)OC2=CC=CC(=C2)OCC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(C(=O)O)OC2=CC=CC(=C2)OCC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H26N2O6S/c1-19-9-13-24(14-10-19)36(32,33)28-16-15-26(27(30)31)35-23-7-4-6-22(17-23)34-18-21-12-11-20-5-2-3-8-25(20)29-21/h2-14,17,26,28H,15-16,18H2,1H3,(H,30,31)