(2S,3R,5S)-2-butyl-5-ethyl-3-iodanyl-1-(4-methylphenyl)sulfonyl-pyrrolidine

Systemtic Name: (2S,3R,5S)-2-butyl-5-ethyl-3-iodanyl-1-(4-methylphenyl)sulfonyl-pyrrolidine Openeye Name: (2S,3R,5S)-2-butyl-5-ethyl-3-iodo-1-(p-tolylsulfonyl)pyrrolidine CAS Name: (2S,3R,5S)-2-butyl-5-ethyl-3-iodo-1-(4-methylphenyl)sulfonylpyrrolidine IUPAC Name: (2S,3R,5S)-2-butyl-5-ethyl-3-iodo-1-(4-methylphenyl)sulfonylpyrrolidine Traditional Name: (2S,3R,5S)-2-butyl-5-ethyl-3-iodo-1-tosyl-pyrrolidine Formula: C17H26INO2S MolecularWeight: 435.36331

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(CC(N1S(=O)(=O)C2=CC=C(C=C2)C)CC)I

Isomeric SMILES

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

InChI

InChI=1S/C17H26INO2S/c1-4-6-7-17-16(18)12-14(5-2)19(17)22(20,21)15-10-8-13(3)9-11-15/h8-11,14,16-17H,4-7,12H2,1-3H3/t14-,16+,17-/m0/s1