(2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: (2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide CAS Name: (2S)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide IUPAC Name: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide Traditional Name: (2S)-2-(4-besylpiperazin-1-ium-1-yl)-N-cyclopropyl-2-(4-fluorophenyl)acetamide Formula: C21H25FN3O3S+ MolecularWeight: 418.504903

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=C(C=C2)F)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC1NC(=O)[C@H](C2=CC=C(C=C2)F)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H24FN3O3S/c22-17-8-6-16(7-9-17)20(21(26)23-18-10-11-18)24-12-14-25(15-13-24)29(27,28)19-4-2-1-3-5-19/h1-9,18,20H,10-15H2,(H,23,26)/p+1/t20-/m0/s1