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

Systemtic Name: 5-phenyl-3-[[3-[4-(pyridin-2-ylamino)butoxy]phenyl]sulfonylamino]pent-4-ynoic acid Openeye Name: 5-phenyl-3-[[3-[4-(2-pyridylamino)butoxy]phenyl]sulfonylamino]pent-4-ynoic acid CAS Name: 5-phenyl-3-[[3-[4-(2-pyridinylamino)butoxy]phenyl]sulfonylamino]-4-pentynoic acid IUPAC Name: 5-phenyl-3-[[3-[4-(pyridin-2-ylamino)butoxy]phenyl]sulfonylamino]pent-4-ynoic acid Traditional Name: 5-phenyl-3-[[3-[4-(2-pyridylamino)butoxy]phenyl]sulfonylamino]pent-4-ynoic acid Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC(CC(=O)O)NS(=O)(=O)C2=CC=CC(=C2)OCCCCNC3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)C#CC(CC(=O)O)NS(=O)(=O)C2=CC=CC(=C2)OCCCCNC3=CC=CC=N3

InChI

InChI=1S/C26H27N3O5S/c30-26(31)19-22(15-14-21-9-2-1-3-10-21)29-35(32,33)24-12-8-11-23(20-24)34-18-7-6-17-28-25-13-4-5-16-27-25/h1-5,8-13,16,20,22,29H,6-7,17-19H2,(H,27,28)(H,30,31)