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

Systemtic Name: N-cyclopropyl-2-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: N-cyclopropyl-2-[[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: N-cyclopropyl-2-[[2-[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzamide IUPAC Name: N-cyclopropyl-2-[[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: N-cyclopropyl-2-[[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C22H26FN4O4S+ MolecularWeight: 461.529643

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC1NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H25FN4O4S/c23-16-5-9-18(10-6-16)32(30,31)27-13-11-26(12-14-27)15-21(28)25-20-4-2-1-3-19(20)22(29)24-17-7-8-17/h1-6,9-10,17H,7-8,11-15H2,(H,24,29)(H,25,28)/p+1