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

Systemtic Name: N'-[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonyl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide Openeye Name: N'-[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide CAS Name: N'-[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]-2,3-dihydro-1,4-benzodioxin-3-carbohydrazide IUPAC Name: N'-[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide Traditional Name: N'-[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]-2,3-dihydro-1,4-benzodioxin-3-carbohydrazide Formula: C22H24ClN3O6S MolecularWeight: 493.96046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O6S/c23-16-10-9-15(13-20(16)33(29,30)26-11-5-1-2-6-12-26)21(27)24-25-22(28)19-14-31-17-7-3-4-8-18(17)32-19/h3-4,7-10,13,19H,1-2,5-6,11-12,14H2,(H,24,27)(H,25,28)