3-[4-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]propanoate

Systemtic Name: 3-[4-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]propanoate Openeye Name: 3-[4-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]propanoate CAS Name: 3-[4-[[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]sulfonyl]phenyl]propanoate IUPAC Name: 3-[4-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]propanoate Traditional Name: 3-[4-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidino]sulfonylphenyl]propionate Formula: C21H24NO6S- MolecularWeight: 418.48336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)CCC(=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@H]2CCCN2S(=O)(=O)C3=CC=C(C=C3)CCC(=O)[O-]

InChI

InChI=1S/C21H25NO6S/c1-27-16-8-11-20(28-2)18(14-16)19-4-3-13-22(19)29(25,26)17-9-5-15(6-10-17)7-12-21(23)24/h5-6,8-11,14,19H,3-4,7,12-13H2,1-2H3,(H,23,24)/p-1/t19-/m1/s1