(2S)-N,N-dimethyl-2-phenyl-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: (2S)-N,N-dimethyl-2-phenyl-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N,N-dimethyl-2-phenyl-acetamide CAS Name: (2S)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N,N-dimethyl-2-phenylacetamide IUPAC Name: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N,N-dimethyl-2-phenylacetamide Traditional Name: (2S)-2-(4-besylpiperazin-1-ium-1-yl)-N,N-dimethyl-2-phenyl-acetamide Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN(C)C(=O)[C@H](C1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3S/c1-21(2)20(24)19(17-9-5-3-6-10-17)22-13-15-23(16-14-22)27(25,26)18-11-7-4-8-12-18/h3-12,19H,13-16H2,1-2H3/p+1/t19-/m0/s1