(2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: (2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: (2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: (2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: (2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: (2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C22H27FN3O3S+ MolecularWeight: 432.531483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=C(C=C3)F)C(=O)NC4CC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@@H](C3=CC=C(C=C3)F)C(=O)NC4CC4

InChI

InChI=1S/C22H26FN3O3S/c1-16-2-10-20(11-3-16)30(28,29)26-14-12-25(13-15-26)21(22(27)24-19-8-9-19)17-4-6-18(23)7-5-17/h2-7,10-11,19,21H,8-9,12-15H2,1H3,(H,24,27)/p+1/t21-/m0/s1