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

Systemtic Name: tert-butyl N-[4-iodanyl-5-(4-methylphenyl)sulfonyl-pentyl]-N-[(1R)-1-phenylethyl]carbamate Openeye Name: tert-butyl N-[4-iodo-5-(p-tolylsulfonyl)pentyl]-N-[(1R)-1-phenylethyl]carbamate CAS Name: N-[4-iodo-5-(4-methylphenyl)sulfonylpentyl]-N-[(1R)-1-phenylethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-iodo-5-(4-methylphenyl)sulfonylpentyl]-N-[(1R)-1-phenylethyl]carbamate Traditional Name: N-(4-iodo-5-tosyl-pentyl)-N-[(1R)-1-phenylethyl]carbamic acid tert-butyl ester Formula: C25H34INO4S MolecularWeight: 571.51123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34INO4S/c1-19-13-15-23(16-14-19)32(29,30)18-22(26)12-9-17-27(24(28)31-25(3,4)5)20(2)21-10-7-6-8-11-21/h6-8,10-11,13-16,20,22H,9,12,17-18H2,1-5H3/t20-,22?/m1/s1