2-fluoranyl-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]benzamide

Systemtic Name: 2-fluoranyl-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]benzamide Openeye Name: 2-fluoro-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]benzamide CAS Name: 2-fluoro-N-[2-methoxy-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]benzamide IUPAC Name: 2-fluoro-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide Traditional Name: 2-fluoro-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]benzamide Formula: C19H23FN3O4S+ MolecularWeight: 408.467023

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C19H22FN3O4S/c1-22-9-11-23(12-10-22)28(25,26)14-7-8-18(27-2)17(13-14)21-19(24)15-5-3-4-6-16(15)20/h3-8,13H,9-12H2,1-2H3,(H,21,24)/p+1