N'-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]ethanoyl]-4-fluoranyl-benzohydrazide

Systemtic Name: N'-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]ethanoyl]-4-fluoranyl-benzohydrazide Openeye Name: N'-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]acetyl]-4-fluoro-benzohydrazide CAS Name: N'-[2-[4-(1-azepanylsulfonyl)-1-piperazin-1-iumyl]-1-oxoethyl]-4-fluorobenzohydrazide IUPAC Name: N'-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]acetyl]-4-fluorobenzohydrazide Traditional Name: N'-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]acetyl]-4-fluoro-benzohydrazide Formula: C19H29FN5O4S+ MolecularWeight: 442.528063

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NNC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NNC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H28FN5O4S/c20-17-7-5-16(6-8-17)19(27)22-21-18(26)15-23-11-13-25(14-12-23)30(28,29)24-9-3-1-2-4-10-24/h5-8H,1-4,9-15H2,(H,21,26)(H,22,27)/p+1