3-[[3-[4-(pyridin-2-ylamino)butoxy]phenyl]sulfonylamino]pent-4-ynoic acid

Systemtic Name: 3-[[3-[4-(pyridin-2-ylamino)butoxy]phenyl]sulfonylamino]pent-4-ynoic acid Openeye Name: 3-[[3-[4-(2-pyridylamino)butoxy]phenyl]sulfonylamino]pent-4-ynoic acid CAS Name: 3-[[3-[4-(2-pyridinylamino)butoxy]phenyl]sulfonylamino]-4-pentynoic acid IUPAC Name: 3-[[3-[4-(pyridin-2-ylamino)butoxy]phenyl]sulfonylamino]pent-4-ynoic acid Traditional Name: 3-[[3-[4-(2-pyridylamino)butoxy]phenyl]sulfonylamino]pent-4-ynoic acid Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(CC(=O)O)NS(=O)(=O)C1=CC=CC(=C1)OCCCCNC2=CC=CC=N2

Isomeric SMILES

C#CC(CC(=O)O)NS(=O)(=O)C1=CC=CC(=C1)OCCCCNC2=CC=CC=N2

InChI

InChI=1S/C20H23N3O5S/c1-2-16(14-20(24)25)23-29(26,27)18-9-7-8-17(15-18)28-13-6-5-12-22-19-10-3-4-11-21-19/h1,3-4,7-11,15-16,23H,5-6,12-14H2,(H,21,22)(H,24,25)