N-[4-[4-[(2R)-2-oxidanyl-3-(4-propanoylphenoxy)propyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-[(2R)-2-oxidanyl-3-(4-propanoylphenoxy)propyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-[(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-[(2R)-2-hydroxy-3-[4-(1-oxopropyl)phenoxy]propyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-[(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-[(2R)-2-hydroxy-3-(4-propionylphenoxy)propyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Formula: C24H32N3O6S+ MolecularWeight: 490.59238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O6S/c1-3-24(30)19-4-8-22(9-5-19)33-17-21(29)16-26-12-14-27(15-13-26)34(31,32)23-10-6-20(7-11-23)25-18(2)28/h4-11,21,29H,3,12-17H2,1-2H3,(H,25,28)/p+1/t21-/m1/s1