N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1CNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CN1C=NN=C1CNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C13H16N4O4S/c1-17-9-14-16-13(17)8-15-22(18,19)10-3-4-11-12(7-10)21-6-2-5-20-11/h3-4,7,9,15H,2,5-6,8H2,1H3