(2S,3S,4R,5S)-4-iodanyl-2,3-dimethyl-1-(4-methylphenyl)sulfonyl-5-propyl-pyrrolidine

Systemtic Name: (2S,3S,4R,5S)-4-iodanyl-2,3-dimethyl-1-(4-methylphenyl)sulfonyl-5-propyl-pyrrolidine Openeye Name: (2S,3S,4R,5S)-4-iodo-2,3-dimethyl-5-propyl-1-(p-tolylsulfonyl)pyrrolidine CAS Name: (2S,3S,4R,5S)-4-iodo-2,3-dimethyl-1-(4-methylphenyl)sulfonyl-5-propylpyrrolidine IUPAC Name: (2S,3S,4R,5S)-4-iodo-2,3-dimethyl-1-(4-methylphenyl)sulfonyl-5-propylpyrrolidine Traditional Name: (2S,3S,4R,5S)-4-iodo-2,3-dimethyl-5-propyl-1-tosyl-pyrrolidine Formula: C16H24INO2S MolecularWeight: 421.33673

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(C(C(N1S(=O)(=O)C2=CC=C(C=C2)C)C)C)I

Isomeric SMILES

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

InChI

InChI=1S/C16H24INO2S/c1-5-6-15-16(17)12(3)13(4)18(15)21(19,20)14-9-7-11(2)8-10-14/h7-10,12-13,15-16H,5-6H2,1-4H3/t12-,13-,15-,16+/m0/s1