3-[[3-[4-[(1-oxidanylpyridin-2-ylidene)amino]butoxy]phenyl]sulfonylamino]hex-5-ynoic acid

Systemtic Name: 3-[[3-[4-[(1-oxidanylpyridin-2-ylidene)amino]butoxy]phenyl]sulfonylamino]hex-5-ynoic acid Openeye Name: 3-[[3-[4-[(1-hydroxy-2-pyridylidene)amino]butoxy]phenyl]sulfonylamino]hex-5-ynoic acid CAS Name: 3-[[3-[4-[(1-hydroxy-2-pyridinylidene)amino]butoxy]phenyl]sulfonylamino]-5-hexynoic acid IUPAC Name: 3-[[3-[4-[(1-hydroxypyridin-2-ylidene)amino]butoxy]phenyl]sulfonylamino]hex-5-ynoic acid Traditional Name: 3-[[3-[4-[(1-hydroxy-2-pyridylidene)amino]butoxy]phenyl]sulfonylamino]hex-5-ynoic acid Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC(CC(=O)O)NS(=O)(=O)C1=CC=CC(=C1)OCCCCN=C2C=CC=CN2O

Isomeric SMILES

C#CCC(CC(=O)O)NS(=O)(=O)C1=CC=CC(=C1)OCCCCN=C2C=CC=CN2O

InChI

InChI=1S/C21H25N3O6S/c1-2-8-17(15-21(25)26)23-31(28,29)19-10-7-9-18(16-19)30-14-6-4-12-22-20-11-3-5-13-24(20)27/h1,3,5,7,9-11,13,16-17,23,27H,4,6,8,12,14-15H2,(H,25,26)