dimethyl 5-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]sulfonylbenzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]sulfonylbenzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(2S)-2-(p-tolyl)pyrrolidin-1-yl]sulfonylbenzene-1,3-dicarboxylate CAS Name: 5-[[(2S)-2-(4-methylphenyl)-1-pyrrolidinyl]sulfonyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]sulfonylbenzene-1,3-dicarboxylate Traditional Name: 5-[(2S)-2-(p-tolyl)pyrrolidino]sulfonylbenzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H23NO6S MolecularWeight: 417.47542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CCCN2S(=O)(=O)C3=CC(=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2CCCN2S(=O)(=O)C3=CC(=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H23NO6S/c1-14-6-8-15(9-7-14)19-5-4-10-22(19)29(25,26)18-12-16(20(23)27-2)11-17(13-18)21(24)28-3/h6-9,11-13,19H,4-5,10H2,1-3H3/t19-/m0/s1