3-[[3-[4-(pyridin-2-ylamino)butoxy]phenyl]sulfonylamino]hex-5-ynoic acid

Systemtic Name: 3-[[3-[4-(pyridin-2-ylamino)butoxy]phenyl]sulfonylamino]hex-5-ynoic acid Openeye Name: 3-[[3-[4-(2-pyridylamino)butoxy]phenyl]sulfonylamino]hex-5-ynoic acid CAS Name: 3-[[3-[4-(2-pyridinylamino)butoxy]phenyl]sulfonylamino]-5-hexynoic acid IUPAC Name: 3-[[3-[4-(pyridin-2-ylamino)butoxy]phenyl]sulfonylamino]hex-5-ynoic acid Traditional Name: 3-[[3-[4-(2-pyridylamino)butoxy]phenyl]sulfonylamino]hex-5-ynoic acid Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S/c1-2-8-17(15-21(25)26)24-30(27,28)19-10-7-9-18(16-19)29-14-6-5-13-23-20-11-3-4-12-22-20/h1,3-4,7,9-12,16-17,24H,5-6,8,13-15H2,(H,22,23)(H,25,26)