4-(2-octylphenoxy)-2-(1,3-oxazol-5-yl)-3-prop-1-ynyl-benzenesulfonamide

Systemtic Name: 4-(2-octylphenoxy)-2-(1,3-oxazol-5-yl)-3-prop-1-ynyl-benzenesulfonamide Openeye Name: 4-(2-octylphenoxy)-2-oxazol-5-yl-3-prop-1-ynyl-benzenesulfonamide CAS Name: 4-(2-octylphenoxy)-2-(5-oxazolyl)-3-prop-1-ynylbenzenesulfonamide IUPAC Name: 4-(2-octylphenoxy)-2-(1,3-oxazol-5-yl)-3-prop-1-ynylbenzenesulfonamide Traditional Name: 4-(2-octylphenoxy)-2-oxazol-5-yl-3-prop-1-ynyl-benzenesulfonamide Formula: C26H30N2O4S MolecularWeight: 466.5924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC=C1OC2=C(C(=C(C=C2)S(=O)(=O)N)C3=CN=CO3)C#CC

Isomeric SMILES

CCCCCCCCC1=CC=CC=C1OC2=C(C(=C(C=C2)S(=O)(=O)N)C3=CN=CO3)C#CC

InChI

InChI=1S/C26H30N2O4S/c1-3-5-6-7-8-9-13-20-14-10-11-15-22(20)32-23-16-17-25(33(27,29)30)26(21(23)12-4-2)24-18-28-19-31-24/h10-11,14-19H,3,5-9,13H2,1-2H3,(H2,27,29,30)