2-[[4-[3-(pyridin-2-ylamino)propoxy]phenyl]methylsulfonyl]ethanoic acid

Systemtic Name: 2-[[4-[3-(pyridin-2-ylamino)propoxy]phenyl]methylsulfonyl]ethanoic acid Openeye Name: 2-[[4-[3-(2-pyridylamino)propoxy]phenyl]methylsulfonyl]acetic acid CAS Name: 2-[[4-[3-(2-pyridinylamino)propoxy]phenyl]methylsulfonyl]acetic acid IUPAC Name: 2-[[4-[3-(pyridin-2-ylamino)propoxy]phenyl]methylsulfonyl]acetic acid Traditional Name: 2-[4-[3-(2-pyridylamino)propoxy]benzyl]sulfonylacetic acid Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NCCCOC2=CC=C(C=C2)CS(=O)(=O)CC(=O)O

Isomeric SMILES

C1=CC=NC(=C1)NCCCOC2=CC=C(C=C2)CS(=O)(=O)CC(=O)O

InChI

InChI=1S/C17H20N2O5S/c20-17(21)13-25(22,23)12-14-5-7-15(8-6-14)24-11-3-10-19-16-4-1-2-9-18-16/h1-2,4-9H,3,10-13H2,(H,18,19)(H,20,21)