6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-ethynylphenyl)hexanamide

Systemtic Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-ethynylphenyl)hexanamide Openeye Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-ethynylphenyl)hexanamide CAS Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-ethynylphenyl)hexanamide IUPAC Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-ethynylphenyl)hexanamide Traditional Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-ethynylphenyl)hexanamide Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)CCCCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)CCCCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C22H24N2O5S/c1-2-17-7-6-8-18(15-17)24-22(25)9-4-3-5-12-23-30(26,27)19-10-11-20-21(16-19)29-14-13-28-20/h1,6-8,10-11,15-16,23H,3-5,9,12-14H2,(H,24,25)