8-nitro-N-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: 8-nitro-N-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: 8-nitro-N-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: 8-nitro-N-(1,3,5-trimethyl-4-pyrazolyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: 8-nitro-N-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: 8-nitro-N-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C15H18N4O6S MolecularWeight: 382.39162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NS(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCCO3

Isomeric SMILES

CC1=C(C(=NN1C)C)NS(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCCO3

InChI

InChI=1S/C15H18N4O6S/c1-9-15(10(2)18(3)16-9)17-26(22,23)14-8-13-12(7-11(14)19(20)21)24-5-4-6-25-13/h7-8,17H,4-6H2,1-3H3