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

Systemtic Name: N-[3-(1,2,4-triazol-1-yl)propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[3-(1,2,4-triazol-1-yl)propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[3-(1,2,4-triazol-1-yl)propyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[3-(1,2,4-triazol-1-yl)propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[3-(1,2,4-triazol-1-yl)propyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C14H18N4O4S MolecularWeight: 338.38212

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCCN3C=NC=N3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCCN3C=NC=N3)OC1

InChI

InChI=1S/C14H18N4O4S/c19-23(20,17-5-1-6-18-11-15-10-16-18)12-3-4-13-14(9-12)22-8-2-7-21-13/h3-4,9-11,17H,1-2,5-8H2