N-(1-pyrazol-1-ylpropan-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-(1-pyrazol-1-ylpropan-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(1-methyl-2-pyrazol-1-yl-ethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[1-(1-pyrazolyl)propan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(1-pyrazol-1-ylpropan-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(1-methyl-2-pyrazol-1-yl-ethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C15H19N3O4S MolecularWeight: 337.39406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=CC=N1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(CN1C=CC=N1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C15H19N3O4S/c1-12(11-18-7-2-6-16-18)17-23(19,20)13-4-5-14-15(10-13)22-9-3-8-21-14/h2,4-7,10,12,17H,3,8-9,11H2,1H3