phenyl 4-cyclohexyl-4-[[3-iodanyl-5-methyl-2-oxidanylidene-5-(phenylmethyl)imidazolidin-1-yl]methyl]piperidine-1-sulfonate

Systemtic Name: phenyl 4-cyclohexyl-4-[[3-iodanyl-5-methyl-2-oxidanylidene-5-(phenylmethyl)imidazolidin-1-yl]methyl]piperidine-1-sulfonate Openeye Name: phenyl 4-[(5-benzyl-3-iodo-5-methyl-2-oxo-imidazolidin-1-yl)methyl]-4-cyclohexyl-piperidine-1-sulfonate CAS Name: 4-cyclohexyl-4-[[3-iodo-5-methyl-2-oxo-5-(phenylmethyl)-1-imidazolidinyl]methyl]-1-piperidinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[(5-benzyl-3-iodo-5-methyl-2-oxoimidazolidin-1-yl)methyl]-4-cyclohexylpiperidine-1-sulfonate Traditional Name: 4-[(5-benzyl-3-iodo-2-keto-5-methyl-imidazolidin-1-yl)methyl]-4-cyclohexyl-piperidine-1-sulfonic acid phenyl ester Formula: C29H38IN3O4S MolecularWeight: 651.59919

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C(=O)N1CC2(CCN(CC2)S(=O)(=O)OC3=CC=CC=C3)C4CCCCC4)I)CC5=CC=CC=C5

Isomeric SMILES

CC1(CN(C(=O)N1CC2(CCN(CC2)S(=O)(=O)OC3=CC=CC=C3)C4CCCCC4)I)CC5=CC=CC=C5

InChI

InChI=1S/C29H38IN3O4S/c1-28(21-24-11-5-2-6-12-24)22-33(30)27(34)32(28)23-29(25-13-7-3-8-14-25)17-19-31(20-18-29)38(35,36)37-26-15-9-4-10-16-26/h2,4-6,9-12,15-16,25H,3,7-8,13-14,17-23H2,1H3