N-[3-(1,2,4-triazol-1-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[3-(1,2,4-triazol-1-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[3-(1,2,4-triazol-1-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[3-(1,2,4-triazol-1-yl)propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[3-(1,2,4-triazol-1-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[3-(1,2,4-triazol-1-yl)propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCCN3C=NC=N3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCCN3C=NC=N3

InChI

InChI=1S/C13H16N4O4S/c18-22(19,16-4-1-5-17-10-14-9-15-17)11-2-3-12-13(8-11)21-7-6-20-12/h2-3,8-10,16H,1,4-7H2