2-[3-[[3-(3-chlorophenyl)propyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[3-[[3-(3-chlorophenyl)propyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid Openeye Name: 2-[3-[[3-(3-chlorophenyl)propyl-(3-pyridylsulfonyl)amino]methyl]phenoxy]acetic acid CAS Name: 2-[3-[[3-(3-chlorophenyl)propyl-(3-pyridinylsulfonyl)amino]methyl]phenoxy]acetic acid IUPAC Name: 2-[3-[[3-(3-chlorophenyl)propyl-pyridin-3-ylsulfonylamino]methyl]phenoxy]acetic acid Traditional Name: 2-[3-[[3-(3-chlorophenyl)propyl-(3-pyridylsulfonyl)amino]methyl]phenoxy]acetic acid Formula: C23H23ClN2O5S MolecularWeight: 474.95712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CCCN(CC2=CC(=CC=C2)OCC(=O)O)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CCCN(CC2=CC(=CC=C2)OCC(=O)O)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C23H23ClN2O5S/c24-20-8-1-5-18(13-20)7-4-12-26(32(29,30)22-10-3-11-25-15-22)16-19-6-2-9-21(14-19)31-17-23(27)28/h1-3,5-6,8-11,13-15H,4,7,12,16-17H2,(H,27,28)