(2R,5S)-2-(4-chlorophenyl)-5-ethyl-1-methylsulfonyl-2,5-dihydropyrrole-3-carboxylic acid

Systemtic Name: (2R,5S)-2-(4-chlorophenyl)-5-ethyl-1-methylsulfonyl-2,5-dihydropyrrole-3-carboxylic acid Openeye Name: (2R,5S)-2-(4-chlorophenyl)-5-ethyl-1-methylsulfonyl-2,5-dihydropyrrole-3-carboxylic acid CAS Name: (2R,5S)-2-(4-chlorophenyl)-5-ethyl-1-methylsulfonyl-2,5-dihydropyrrole-3-carboxylic acid IUPAC Name: (2R,5S)-2-(4-chlorophenyl)-5-ethyl-1-methylsulfonyl-2,5-dihydropyrrole-3-carboxylic acid Traditional Name: (2R,5S)-2-(4-chlorophenyl)-5-ethyl-1-mesyl-3-pyrroline-3-carboxylic acid Formula: C14H16ClNO4S MolecularWeight: 329.79914

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C=C(C(N1S(=O)(=O)C)C2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC[C@H]1C=C([C@H](N1S(=O)(=O)C)C2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C14H16ClNO4S/c1-3-11-8-12(14(17)18)13(16(11)21(2,19)20)9-4-6-10(15)7-5-9/h4-8,11,13H,3H2,1-2H3,(H,17,18)/t11-,13+/m0/s1