N-(2,3-dimethylphenyl)-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-fluoranyl-benzamide

Systemtic Name: N-(2,3-dimethylphenyl)-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-fluoranyl-benzamide Openeye Name: N-(2,3-dimethylphenyl)-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-fluoro-benzamide CAS Name: N-(2,3-dimethylphenyl)-5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-2-fluorobenzamide IUPAC Name: N-(2,3-dimethylphenyl)-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-fluorobenzamide Traditional Name: N-(2,3-dimethylphenyl)-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-fluoro-benzamide Formula: C21H27FN3O3S+ MolecularWeight: 420.520783

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=CC=CC(=C3C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=CC=CC(=C3C)C

InChI

InChI=1S/C21H26FN3O3S/c1-4-24-10-12-25(13-11-24)29(27,28)17-8-9-19(22)18(14-17)21(26)23-20-7-5-6-15(2)16(20)3/h5-9,14H,4,10-13H2,1-3H3,(H,23,26)/p+1