N'-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]-2-fluoranyl-benzohydrazide

Systemtic Name: N'-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]-2-fluoranyl-benzohydrazide Openeye Name: N'-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]-2-fluoro-benzohydrazide CAS Name: N'-[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxopropyl]-2-fluorobenzohydrazide IUPAC Name: N'-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]-2-fluorobenzohydrazide Traditional Name: N'-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]-2-fluoro-benzohydrazide Formula: C22H26FN3O4S MolecularWeight: 447.522943

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NNC(=O)C3=CC=CC=C3F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NNC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C22H26FN3O4S/c23-20-8-4-3-7-19(20)22(28)25-24-21(27)14-11-17-9-12-18(13-10-17)31(29,30)26-15-5-1-2-6-16-26/h3-4,7-10,12-13H,1-2,5-6,11,14-16H2,(H,24,27)(H,25,28)