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

Systemtic Name: (2R)-N-(4-ethanoylphenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(4-acetylphenyl)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(4-acetylphenyl)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(4-acetylphenyl)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(4-acetylphenyl)-2-(4-besylpiperazin-1-ium-1-yl)propionamide Formula: C21H26N3O4S+ MolecularWeight: 416.51384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4S/c1-16(21(26)22-19-10-8-18(9-11-19)17(2)25)23-12-14-24(15-13-23)29(27,28)20-6-4-3-5-7-20/h3-11,16H,12-15H2,1-2H3,(H,22,26)/p+1/t16-/m1/s1