N'-[3-(azepan-1-ylsulfonyl)phenyl]carbonyl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide

Systemtic Name: N'-[3-(azepan-1-ylsulfonyl)phenyl]carbonyl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide Openeye Name: N'-[3-(azepan-1-ylsulfonyl)benzoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide CAS Name: N'-[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]-2,3-dihydro-1,4-benzodioxin-3-carbohydrazide IUPAC Name: N'-[3-(azepan-1-ylsulfonyl)benzoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide Traditional Name: N'-[3-(azepan-1-ylsulfonyl)benzoyl]-2,3-dihydro-1,4-benzodioxin-3-carbohydrazide Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C22H25N3O6S/c26-21(23-24-22(27)20-15-30-18-10-3-4-11-19(18)31-20)16-8-7-9-17(14-16)32(28,29)25-12-5-1-2-6-13-25/h3-4,7-11,14,20H,1-2,5-6,12-13,15H2,(H,23,26)(H,24,27)