2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]ethanamide

Systemtic Name: 2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[(2S)-2-phenylpropyl]acetamide CAS Name: 2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]-N-[(2S)-2-phenylpropyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[(2S)-2-phenylpropyl]acetamide Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[(2S)-2-phenylpropyl]acetamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-19(21-10-6-3-7-11-21)16-23-22(26)17-24-12-14-25(15-13-24)29(27,28)18-20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3,(H,23,26)/p+1/t19-/m1/s1