N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[3-(1-imidazolyl)propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C14H17N3O4S MolecularWeight: 323.36748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCCN3C=CN=C3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C14H17N3O4S/c18-22(19,16-4-1-6-17-7-5-15-11-17)12-2-3-13-14(10-12)21-9-8-20-13/h2-3,5,7,10-11,16H,1,4,6,8-9H2