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

Systemtic Name: phenyl 3-[(1-bromanyl-4-cyclohexyl-piperidin-4-yl)methyl]-1-iodanyl-4-methyl-2-oxidanylidene-imidazolidine-4-sulfonate Openeye Name: phenyl 3-[(1-bromo-4-cyclohexyl-4-piperidyl)methyl]-1-iodo-4-methyl-2-oxo-imidazolidine-4-sulfonate CAS Name: 3-[(1-bromo-4-cyclohexyl-4-piperidinyl)methyl]-1-iodo-4-methyl-2-oxo-4-imidazolidinesulfonic acid phenyl ester IUPAC Name: phenyl 3-[(1-bromo-4-cyclohexylpiperidin-4-yl)methyl]-1-iodo-4-methyl-2-oxoimidazolidine-4-sulfonate Traditional Name: 3-[(1-bromo-4-cyclohexyl-4-piperidyl)methyl]-1-iodo-2-keto-4-methyl-imidazolidine-4-sulfonic acid phenyl ester Formula: C22H31BrIN3O4S MolecularWeight: 640.37271

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31BrIN3O4S/c1-21(32(29,30)31-19-10-6-3-7-11-19)16-27(24)20(28)26(21)17-22(12-14-25(23)15-13-22)18-8-4-2-5-9-18/h3,6-7,10-11,18H,2,4-5,8-9,12-17H2,1H3