2-[4-[(1S)-1-phenyl-2-(phenylsulfonylamino)ethyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-[(1S)-1-phenyl-2-(phenylsulfonylamino)ethyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[(1S)-2-(benzenesulfonamido)-1-phenyl-ethyl]piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[(1S)-2-(benzenesulfonamido)-1-phenylethyl]-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-[(1S)-2-(benzenesulfonamido)-1-phenylethyl]piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-[(1S)-2-(benzenesulfonamido)-1-phenyl-ethyl]piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C23H33N4O3S+ MolecularWeight: 445.59812

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C(CNS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)[C@H](CNS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H32N4O3S/c1-2-13-24-23(28)19-26-14-16-27(17-15-26)22(20-9-5-3-6-10-20)18-25-31(29,30)21-11-7-4-8-12-21/h3-12,22,25H,2,13-19H2,1H3,(H,24,28)/p+1/t22-/m1/s1