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

Systemtic Name: N-[2-ethoxy-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-2-fluoranyl-benzamide Openeye Name: N-[2-ethoxy-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-2-fluoro-benzamide CAS Name: N-[2-ethoxy-5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2-fluorobenzamide IUPAC Name: N-[2-ethoxy-5-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-fluorobenzamide Traditional Name: N-[2-ethoxy-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-2-fluoro-benzamide Formula: C21H27FN3O4S+ MolecularWeight: 436.520183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3O4S/c1-3-24-11-13-25(14-12-24)30(27,28)16-9-10-20(29-4-2)19(15-16)23-21(26)17-7-5-6-8-18(17)22/h5-10,15H,3-4,11-14H2,1-2H3,(H,23,26)/p+1