(2R)-N-[(2R)-2-phenylbutyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-[(2R)-2-phenylbutyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(2R)-2-phenylbutyl]propanamide CAS Name: (2R)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[(2R)-2-phenylbutyl]propanamide IUPAC Name: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(2R)-2-phenylbutyl]propanamide Traditional Name: (2R)-2-(4-besylpiperazin-1-ium-1-yl)-N-[(2R)-2-phenylbutyl]propionamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S/c1-3-20(21-10-6-4-7-11-21)18-24-23(27)19(2)25-14-16-26(17-15-25)30(28,29)22-12-8-5-9-13-22/h4-13,19-20H,3,14-18H2,1-2H3,(H,24,27)/p+1/t19-,20+/m1/s1