2-[3-[[(4-pyrazol-1-ylphenyl)methyl-thiophen-2-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[3-[[(4-pyrazol-1-ylphenyl)methyl-thiophen-2-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid Openeye Name: 2-[3-[[(4-pyrazol-1-ylphenyl)methyl-(2-thienylsulfonyl)amino]methyl]phenoxy]acetic acid CAS Name: 2-[3-[[[4-(1-pyrazolyl)phenyl]methyl-thiophen-2-ylsulfonylamino]methyl]phenoxy]acetic acid IUPAC Name: 2-[3-[[(4-pyrazol-1-ylphenyl)methyl-thiophen-2-ylsulfonylamino]methyl]phenoxy]acetic acid Traditional Name: 2-[3-[[(4-pyrazol-1-ylbenzyl)-(2-thienylsulfonyl)amino]methyl]phenoxy]acetic acid Formula: C23H21N3O5S2 MolecularWeight: 483.55994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC(=O)O)CN(CC2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1=CC(=CC(=C1)OCC(=O)O)CN(CC2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H21N3O5S2/c27-22(28)17-31-21-5-1-4-19(14-21)16-25(33(29,30)23-6-2-13-32-23)15-18-7-9-20(10-8-18)26-12-3-11-24-26/h1-14H,15-17H2,(H,27,28)