N-[4-[(2R)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-2-oxidanyl-propoxy]phenyl]ethanamide

Systemtic Name: N-[4-[(2R)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-2-oxidanyl-propoxy]phenyl]ethanamide Openeye Name: N-[4-[(2R)-2-hydroxy-3-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]propoxy]phenyl]acetamide CAS Name: N-[4-[(2R)-2-hydroxy-3-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]propoxy]phenyl]acetamide IUPAC Name: N-[4-[(2R)-2-hydroxy-3-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propoxy]phenyl]acetamide Traditional Name: N-[4-[(2R)-2-hydroxy-3-(4-tosylpiperazin-1-ium-1-yl)propoxy]phenyl]acetamide Formula: C22H30N3O5S+ MolecularWeight: 448.5557

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(COC3=CC=C(C=C3)NC(=O)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C[C@H](COC3=CC=C(C=C3)NC(=O)C)O

InChI

InChI=1S/C22H29N3O5S/c1-17-3-9-22(10-4-17)31(28,29)25-13-11-24(12-14-25)15-20(27)16-30-21-7-5-19(6-8-21)23-18(2)26/h3-10,20,27H,11-16H2,1-2H3,(H,23,26)/p+1/t20-/m1/s1