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

Systemtic Name: N'-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]-4-fluoranyl-benzohydrazide Openeye Name: N'-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]-4-fluoro-benzohydrazide CAS Name: N'-[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxopropyl]-4-fluorobenzohydrazide IUPAC Name: N'-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]-4-fluorobenzohydrazide Traditional Name: N'-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]-4-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=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C22H26FN3O4S/c23-19-10-8-18(9-11-19)22(28)25-24-21(27)14-7-17-5-12-20(13-6-17)31(29,30)26-15-3-1-2-4-16-26/h5-6,8-13H,1-4,7,14-16H2,(H,24,27)(H,25,28)