N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-hexoxy-benzohydrazide

Systemtic Name: N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-hexoxy-benzohydrazide Openeye Name: N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-hexoxy-benzohydrazide CAS Name: N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-hexoxybenzohydrazide IUPAC Name: N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-hexoxybenzohydrazide Traditional Name: N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-hexoxy-benzohydrazide Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H28N2O6S/c1-2-3-4-5-13-28-18-9-7-17(8-10-18)22(25)23-24-31(26,27)19-11-12-20-21(16-19)30-15-6-14-29-20/h7-12,16,24H,2-6,13-15H2,1H3,(H,23,25)