dimethyl 5-[(2S)-2-(phenylmethyl)pyrrolidin-1-yl]sulfonylbenzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(2S)-2-(phenylmethyl)pyrrolidin-1-yl]sulfonylbenzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(2S)-2-benzylpyrrolidin-1-yl]sulfonylbenzene-1,3-dicarboxylate CAS Name: 5-[[(2S)-2-(phenylmethyl)-1-pyrrolidinyl]sulfonyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2S)-2-benzylpyrrolidin-1-yl]sulfonylbenzene-1,3-dicarboxylate Traditional Name: 5-[(2S)-2-benzylpyrrolidino]sulfonylbenzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)N2CCCC2CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)N2CCC[C@H]2CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H23NO6S/c1-27-20(23)16-12-17(21(24)28-2)14-19(13-16)29(25,26)22-10-6-9-18(22)11-15-7-4-3-5-8-15/h3-5,7-8,12-14,18H,6,9-11H2,1-2H3/t18-/m0/s1