3-(azepan-1-ylsulfonyl)-N'-[2-(2-fluoranylphenoxy)propanoyl]benzohydrazide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N'-[2-(2-fluoranylphenoxy)propanoyl]benzohydrazide Openeye Name: 3-(azepan-1-ylsulfonyl)-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide CAS Name: 3-(1-azepanylsulfonyl)-N'-[2-(2-fluorophenoxy)-1-oxopropyl]benzohydrazide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide Traditional Name: 3-(azepan-1-ylsulfonyl)-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide Formula: C22H26FN3O5S MolecularWeight: 463.522343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2)OC3=CC=CC=C3F

Isomeric SMILES

CC(C(=O)NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2)OC3=CC=CC=C3F

InChI

InChI=1S/C22H26FN3O5S/c1-16(31-20-12-5-4-11-19(20)23)21(27)24-25-22(28)17-9-8-10-18(15-17)32(29,30)26-13-6-2-3-7-14-26/h4-5,8-12,15-16H,2-3,6-7,13-14H2,1H3,(H,24,27)(H,25,28)