4-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: 4-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: 4-[[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: 4-[[2-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: 4-[[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C19H22FN4O4S+ MolecularWeight: 421.465783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)C(=O)N)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)C(=O)N)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C19H21FN4O4S/c20-15-2-1-3-17(12-15)29(27,28)24-10-8-23(9-11-24)13-18(25)22-16-6-4-14(5-7-16)19(21)26/h1-7,12H,8-11,13H2,(H2,21,26)(H,22,25)/p+1