2-[2-ethyl-4-[[[3-(4-methylphenyl)phenyl]-propylsulfonyl-amino]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-ethyl-4-[[[3-(4-methylphenyl)phenyl]-propylsulfonyl-amino]methyl]phenoxy]ethanoic acid Openeye Name: 2-[2-ethyl-4-[[N-propylsulfonyl-3-(p-tolyl)anilino]methyl]phenoxy]acetic acid CAS Name: 2-[2-ethyl-4-[[3-(4-methylphenyl)-N-propylsulfonylanilino]methyl]phenoxy]acetic acid IUPAC Name: 2-[2-ethyl-4-[[3-(4-methylphenyl)-N-propylsulfonylanilino]methyl]phenoxy]acetic acid Traditional Name: 2-[2-ethyl-4-[[N-propylsulfonyl-3-(p-tolyl)anilino]methyl]phenoxy]acetic acid Formula: C27H31NO5S MolecularWeight: 481.60374

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N(CC1=CC(=C(C=C1)OCC(=O)O)CC)C2=CC=CC(=C2)C3=CC=C(C=C3)C

Isomeric SMILES

CCCS(=O)(=O)N(CC1=CC(=C(C=C1)OCC(=O)O)CC)C2=CC=CC(=C2)C3=CC=C(C=C3)C

InChI

InChI=1S/C27H31NO5S/c1-4-15-34(31,32)28(18-21-11-14-26(22(5-2)16-21)33-19-27(29)30)25-8-6-7-24(17-25)23-12-9-20(3)10-13-23/h6-14,16-17H,4-5,15,18-19H2,1-3H3,(H,29,30)