tert-butyl N-[5-iodanyl-6-(4-methylphenyl)sulfonyl-hexyl]-N-[(1R)-1-phenylethyl]carbamate

Systemtic Name: tert-butyl N-[5-iodanyl-6-(4-methylphenyl)sulfonyl-hexyl]-N-[(1R)-1-phenylethyl]carbamate Openeye Name: tert-butyl N-[5-iodo-6-(p-tolylsulfonyl)hexyl]-N-[(1R)-1-phenylethyl]carbamate CAS Name: N-[5-iodo-6-(4-methylphenyl)sulfonylhexyl]-N-[(1R)-1-phenylethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-iodo-6-(4-methylphenyl)sulfonylhexyl]-N-[(1R)-1-phenylethyl]carbamate Traditional Name: N-(5-iodo-6-tosyl-hexyl)-N-[(1R)-1-phenylethyl]carbamic acid tert-butyl ester Formula: C26H36INO4S MolecularWeight: 585.53781

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(CCCCN(C(C)C2=CC=CC=C2)C(=O)OC(C)(C)C)I

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(CCCCN([C@H](C)C2=CC=CC=C2)C(=O)OC(C)(C)C)I

InChI

InChI=1S/C26H36INO4S/c1-20-14-16-24(17-15-20)33(30,31)19-23(27)13-9-10-18-28(25(29)32-26(3,4)5)21(2)22-11-7-6-8-12-22/h6-8,11-12,14-17,21,23H,9-10,13,18-19H2,1-5H3/t21-,23?/m1/s1