(2S)-N,N-diethyl-2-phenyl-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: (2S)-N,N-diethyl-2-phenyl-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: (2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N,N-diethyl-2-phenyl-acetamide CAS Name: (2S)-N,N-diethyl-2-phenyl-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: (2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N,N-diethyl-2-phenylacetamide Traditional Name: (2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N,N-diethyl-2-phenyl-acetamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S/c1-3-24(4-2)23(27)22(21-13-9-6-10-14-21)25-15-17-26(18-16-25)30(28,29)19-20-11-7-5-8-12-20/h5-14,22H,3-4,15-19H2,1-2H3/p+1/t22-/m0/s1