ethyl 4-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate CAS Name: 4-[[(2S)-2-(2,4-dimethoxyphenyl)-1-pyrrolidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidino]sulfonylbenzoic acid ethyl ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2C3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C21H25NO6S/c1-4-28-21(23)15-7-10-17(11-8-15)29(24,25)22-13-5-6-19(22)18-12-9-16(26-2)14-20(18)27-3/h7-12,14,19H,4-6,13H2,1-3H3/t19-/m0/s1