[(2S)-1-(2-bromophenyl)sulfonyl-2,5-dihydropyrrol-2-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [(2S)-1-(2-bromophenyl)sulfonyl-2,5-dihydropyrrol-2-yl]methyl 2,2-dimethylpropanoate Openeye Name: [(2S)-1-(2-bromophenyl)sulfonyl-2,5-dihydropyrrol-2-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(2S)-1-(2-bromophenyl)sulfonyl-2,5-dihydropyrrol-2-yl]methyl ester IUPAC Name: [(2S)-1-(2-bromophenyl)sulfonyl-2,5-dihydropyrrol-2-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(2S)-1-(2-bromophenyl)sulfonyl-3-pyrrolin-2-yl]methyl ester Formula: C16H20BrNO4S MolecularWeight: 402.3033

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC1C=CCN1S(=O)(=O)C2=CC=CC=C2Br

Isomeric SMILES

CC(C)(C)C(=O)OC[C@@H]1C=CCN1S(=O)(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C16H20BrNO4S/c1-16(2,3)15(19)22-11-12-7-6-10-18(12)23(20,21)14-9-5-4-8-13(14)17/h4-9,12H,10-11H2,1-3H3/t12-/m0/s1