7-[5-(phenethylamino)pentanoyl]-2,3-dihydro-1,4-benzodioxine-5-sulfonamide

Systemtic Name: 7-[5-(phenethylamino)pentanoyl]-2,3-dihydro-1,4-benzodioxine-5-sulfonamide Openeye Name: 7-[5-(phenethylamino)pentanoyl]-2,3-dihydro-1,4-benzodioxine-5-sulfonamide CAS Name: 7-[1-oxo-5-(phenethylamino)pentyl]-2,3-dihydro-1,4-benzodioxin-5-sulfonamide IUPAC Name: 7-[5-(phenethylamino)pentanoyl]-2,3-dihydro-1,4-benzodioxine-5-sulfonamide Traditional Name: 7-[5-(phenethylamino)pentanoyl]-2,3-dihydro-1,4-benzodioxin-5-sulfonamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2S(=O)(=O)N)C(=O)CCCCNCCC3=CC=CC=C3

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2S(=O)(=O)N)C(=O)CCCCNCCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O5S/c22-29(25,26)20-15-17(14-19-21(20)28-13-12-27-19)18(24)8-4-5-10-23-11-9-16-6-2-1-3-7-16/h1-3,6-7,14-15,23H,4-5,8-13H2,(H2,22,25,26)