(2R)-2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenyl-propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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