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

Systemtic Name: (2S)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]propanamide Openeye Name: (2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[(2S)-2-phenylpropyl]propanamide CAS Name: (2S)-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]-N-[(2S)-2-phenylpropyl]propanamide IUPAC Name: (2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[(2S)-2-phenylpropyl]propanamide Traditional Name: (2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[(2S)-2-phenylpropyl]propionamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S/c1-19(22-11-7-4-8-12-22)17-24-23(27)20(2)25-13-15-26(16-14-25)30(28,29)18-21-9-5-3-6-10-21/h3-12,19-20H,13-18H2,1-2H3,(H,24,27)/p+1/t19-,20+/m1/s1