N-[(3Z)-2,5-dihydro-1,6-benzodioxocin-8-yl]-N-hex-5-ynyl-benzenesulfonamide

Systemtic Name: N-[(3Z)-2,5-dihydro-1,6-benzodioxocin-8-yl]-N-hex-5-ynyl-benzenesulfonamide Openeye Name: N-[(3Z)-2,5-dihydro-1,6-benzodioxocin-8-yl]-N-hex-5-ynyl-benzenesulfonamide CAS Name: N-[(3Z)-2,5-dihydro-1,6-benzodioxocin-8-yl]-N-hex-5-ynylbenzenesulfonamide IUPAC Name: N-[(3Z)-2,5-dihydro-1,6-benzodioxocin-8-yl]-N-hex-5-ynylbenzenesulfonamide Traditional Name: N-[(3Z)-2,5-dihydro-1,6-benzodioxocin-8-yl]-N-hex-5-ynyl-benzenesulfonamide Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCCN(C1=CC2=C(C=C1)OCC=CCO2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C#CCCCCN(C1=CC2=C(C=C1)OC/C=C\CO2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23NO4S/c1-2-3-4-8-15-23(28(24,25)20-11-6-5-7-12-20)19-13-14-21-22(18-19)27-17-10-9-16-26-21/h1,5-7,9-14,18H,3-4,8,15-17H2/b10-9-