2-[3-[(4-dimethylaminophenyl)methyl-pyridin-3-ylsulfonyl-amino]phenoxy]ethanoic acid

Systemtic Name: 2-[3-[(4-dimethylaminophenyl)methyl-pyridin-3-ylsulfonyl-amino]phenoxy]ethanoic acid Openeye Name: 2-[3-[(4-dimethylaminophenyl)methyl-(3-pyridylsulfonyl)amino]phenoxy]acetic acid CAS Name: 2-[3-[(4-dimethylaminophenyl)methyl-(3-pyridinylsulfonyl)amino]phenoxy]acetic acid IUPAC Name: 2-[3-[(4-dimethylaminophenyl)methyl-pyridin-3-ylsulfonylamino]phenoxy]acetic acid Traditional Name: 2-[3-[[4-(dimethylamino)benzyl]-(3-pyridylsulfonyl)amino]phenoxy]acetic acid Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN(C2=CC(=CC=C2)OCC(=O)O)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN(C2=CC(=CC=C2)OCC(=O)O)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H23N3O5S/c1-24(2)18-10-8-17(9-11-18)15-25(31(28,29)21-7-4-12-23-14-21)19-5-3-6-20(13-19)30-16-22(26)27/h3-14H,15-16H2,1-2H3,(H,26,27)