methyl 4-[(2R)-2-oxidanyl-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]propoxy]benzoate

Systemtic Name: methyl 4-[(2R)-2-oxidanyl-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]propoxy]benzoate Openeye Name: methyl 4-[(2R)-2-hydroxy-3-[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]propoxy]benzoate CAS Name: 4-[(2R)-2-hydroxy-3-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[(2R)-2-hydroxy-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]propoxy]benzoate Traditional Name: 4-[(2R)-2-hydroxy-3-(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)propoxy]benzoic acid methyl ester Formula: C24H33N2O6S+ MolecularWeight: 477.59362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O6S/c1-18(2)19-6-10-23(11-7-19)33(29,30)26-14-12-25(13-15-26)16-21(27)17-32-22-8-4-20(5-9-22)24(28)31-3/h4-11,18,21,27H,12-17H2,1-3H3/p+1/t21-/m1/s1