3-[2-[2-(phenylsulfonylamino)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-[2-(phenylsulfonylamino)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[2-[2-(benzenesulfonamido)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid CAS Name: 3-[2-[2-(benzenesulfonamido)ethoxy]-4-(1-pyrazolylmethyl)phenyl]propanoic acid IUPAC Name: 3-[2-[2-(benzenesulfonamido)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[2-[2-(benzenesulfonamido)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propionic acid Formula: C21H23N3O5S MolecularWeight: 429.48942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NCCOC2=C(C=CC(=C2)CN3C=CC=N3)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NCCOC2=C(C=CC(=C2)CN3C=CC=N3)CCC(=O)O

InChI

InChI=1S/C21H23N3O5S/c25-21(26)10-9-18-8-7-17(16-24-13-4-11-22-24)15-20(18)29-14-12-23-30(27,28)19-5-2-1-3-6-19/h1-8,11,13,15,23H,9-10,12,14,16H2,(H,25,26)