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

Systemtic Name: N-[5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methoxy-phenyl]-2-fluoranyl-benzamide Openeye Name: N-[5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methoxy-phenyl]-2-fluoro-benzamide CAS Name: N-[5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-2-methoxyphenyl]-2-fluorobenzamide IUPAC Name: N-[5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methoxyphenyl]-2-fluorobenzamide Traditional Name: N-[5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methoxy-phenyl]-2-fluoro-benzamide Formula: C20H25FN3O4S+ MolecularWeight: 422.493603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24FN3O4S/c1-3-23-10-12-24(13-11-23)29(26,27)15-8-9-19(28-2)18(14-15)22-20(25)16-6-4-5-7-17(16)21/h4-9,14H,3,10-13H2,1-2H3,(H,22,25)/p+1