phenyl 3-[(4-cyclohexyl-1-iodanyl-piperidin-4-yl)methyl]-4-methyl-2-oxidanylidene-4-(phenylmethyl)imidazolidine-1-sulfonate

Systemtic Name: phenyl 3-[(4-cyclohexyl-1-iodanyl-piperidin-4-yl)methyl]-4-methyl-2-oxidanylidene-4-(phenylmethyl)imidazolidine-1-sulfonate Openeye Name: phenyl 4-benzyl-3-[(4-cyclohexyl-1-iodo-4-piperidyl)methyl]-4-methyl-2-oxo-imidazolidine-1-sulfonate CAS Name: 3-[(4-cyclohexyl-1-iodo-4-piperidinyl)methyl]-4-methyl-2-oxo-4-(phenylmethyl)-1-imidazolidinesulfonic acid phenyl ester IUPAC Name: phenyl 4-benzyl-3-[(4-cyclohexyl-1-iodopiperidin-4-yl)methyl]-4-methyl-2-oxoimidazolidine-1-sulfonate Traditional Name: 4-benzyl-3-[(4-cyclohexyl-1-iodo-4-piperidyl)methyl]-2-keto-4-methyl-imidazolidine-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)I)C3CCCCC3)S(=O)(=O)OC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1(CN(C(=O)N1CC2(CCN(CC2)I)C3CCCCC3)S(=O)(=O)OC4=CC=CC=C4)CC5=CC=CC=C5

InChI

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