N-ethyl-N-(4-fluorophenyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-ethyl-N-(4-fluorophenyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide CAS Name: N-ethyl-N-(4-fluorophenyl)-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide Formula: C21H27FN3O3S+ MolecularWeight: 420.520783

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)F)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCN(C1=CC=C(C=C1)F)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H26FN3O3S/c1-2-25(20-10-8-19(22)9-11-20)21(26)16-23-12-14-24(15-13-23)29(27,28)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3/p+1