N-[2-(2-fluoranylphenoxy)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-[2-(2-fluoranylphenoxy)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-[2-(2-fluorophenoxy)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-[2-(2-fluorophenoxy)ethyl]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[2-(2-fluorophenoxy)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-[2-(2-fluorophenoxy)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C20H25FN3O4S+ MolecularWeight: 422.493603

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCOC3=CC=CC=C3F

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCOC3=CC=CC=C3F

InChI

InChI=1S/C20H24FN3O4S/c1-23-10-12-24(13-11-23)29(26,27)17-6-4-5-16(15-17)20(25)22-9-14-28-19-8-3-2-7-18(19)21/h2-8,15H,9-14H2,1H3,(H,22,25)/p+1