ethyl (3R,4R)-3-(iodanylmethyl)-1-(4-methylphenyl)sulfonyl-4-oxidanyl-piperidine-3-carboxylate

Systemtic Name: ethyl (3R,4R)-3-(iodanylmethyl)-1-(4-methylphenyl)sulfonyl-4-oxidanyl-piperidine-3-carboxylate Openeye Name: ethyl (3R,4R)-4-hydroxy-3-(iodomethyl)-1-(p-tolylsulfonyl)piperidine-3-carboxylate CAS Name: (3R,4R)-4-hydroxy-3-(iodomethyl)-1-(4-methylphenyl)sulfonyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R)-4-hydroxy-3-(iodomethyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate Traditional Name: (3R,4R)-4-hydroxy-3-(iodomethyl)-1-tosyl-nipecotic acid ethyl ester Formula: C16H22INO5S MolecularWeight: 467.31905

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CN(CCC1O)S(=O)(=O)C2=CC=C(C=C2)C)CI

Isomeric SMILES

CCOC(=O)[C@]1(CN(CC[C@H]1O)S(=O)(=O)C2=CC=C(C=C2)C)CI

InChI

InChI=1S/C16H22INO5S/c1-3-23-15(20)16(10-17)11-18(9-8-14(16)19)24(21,22)13-6-4-12(2)5-7-13/h4-7,14,19H,3,8-11H2,1-2H3/t14-,16+/m1/s1