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

Systemtic Name: ethyl 4-[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate CAS Name: 4-[[(2S)-2-(4-ethoxyphenyl)-1-pyrrolidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(2S)-2-p-phenetylpyrrolidino]sulfonylbenzoic acid ethyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@H]2CCCN2S(=O)(=O)C3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C21H25NO5S/c1-3-26-18-11-7-16(8-12-18)20-6-5-15-22(20)28(24,25)19-13-9-17(10-14-19)21(23)27-4-2/h7-14,20H,3-6,15H2,1-2H3/t20-/m0/s1