2-[3-[[methylsulfonyl-[(4-pyridin-3-ylphenyl)methyl]amino]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[3-[[methylsulfonyl-[(4-pyridin-3-ylphenyl)methyl]amino]methyl]phenoxy]ethanoic acid Openeye Name: 2-[3-[[methylsulfonyl-[[4-(3-pyridyl)phenyl]methyl]amino]methyl]phenoxy]acetic acid CAS Name: 2-[3-[[methylsulfonyl-[[4-(3-pyridinyl)phenyl]methyl]amino]methyl]phenoxy]acetic acid IUPAC Name: 2-[3-[[methylsulfonyl-[(4-pyridin-3-ylphenyl)methyl]amino]methyl]phenoxy]acetic acid Traditional Name: 2-[3-[[mesyl-[4-(3-pyridyl)benzyl]amino]methyl]phenoxy]acetic acid Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=C(C=C1)C2=CN=CC=C2)CC3=CC(=CC=C3)OCC(=O)O

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=C(C=C1)C2=CN=CC=C2)CC3=CC(=CC=C3)OCC(=O)O

InChI

InChI=1S/C22H22N2O5S/c1-30(27,28)24(15-18-4-2-6-21(12-18)29-16-22(25)26)14-17-7-9-19(10-8-17)20-5-3-11-23-13-20/h2-13H,14-16H2,1H3,(H,25,26)