3-(azepan-1-ylsulfonyl)-4-chloranyl-N'-[2-(2-fluoranylphenoxy)propanoyl]benzohydrazide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N'-[2-(2-fluoranylphenoxy)propanoyl]benzohydrazide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N'-[2-(2-fluorophenoxy)-1-oxopropyl]benzohydrazide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide Formula: C22H25ClFN3O5S MolecularWeight: 497.967403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClFN3O5S/c1-15(32-19-9-5-4-8-18(19)24)21(28)25-26-22(29)16-10-11-17(23)20(14-16)33(30,31)27-12-6-2-3-7-13-27/h4-5,8-11,14-15H,2-3,6-7,12-13H2,1H3,(H,25,28)(H,26,29)