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

Systemtic Name: phenyl 3-[(4-cyclohexyl-1-iodanyl-piperidin-4-yl)methyl]-4-methyl-2-oxidanylidene-4-propan-2-ylsulfonyl-imidazolidine-1-sulfonate Openeye Name: phenyl 3-[(4-cyclohexyl-1-iodo-4-piperidyl)methyl]-4-isopropylsulfonyl-4-methyl-2-oxo-imidazolidine-1-sulfonate CAS Name: 3-[(4-cyclohexyl-1-iodo-4-piperidinyl)methyl]-4-methyl-2-oxo-4-propan-2-ylsulfonyl-1-imidazolidinesulfonic acid phenyl ester IUPAC Name: phenyl 3-[(4-cyclohexyl-1-iodopiperidin-4-yl)methyl]-4-methyl-2-oxo-4-propan-2-ylsulfonylimidazolidine-1-sulfonate Traditional Name: 3-[(4-cyclohexyl-1-iodo-4-piperidyl)methyl]-4-isopropylsulfonyl-2-keto-4-methyl-imidazolidine-1-sulfonic acid phenyl ester Formula: C25H38IN3O6S2 MolecularWeight: 667.62019

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1(CN(C(=O)N1CC2(CCN(CC2)I)C3CCCCC3)S(=O)(=O)OC4=CC=CC=C4)C

Isomeric SMILES

CC(C)S(=O)(=O)C1(CN(C(=O)N1CC2(CCN(CC2)I)C3CCCCC3)S(=O)(=O)OC4=CC=CC=C4)C

InChI

InChI=1S/C25H38IN3O6S2/c1-20(2)36(31,32)24(3)18-29(37(33,34)35-22-12-8-5-9-13-22)23(30)28(24)19-25(14-16-27(26)17-15-25)21-10-6-4-7-11-21/h5,8-9,12-13,20-21H,4,6-7,10-11,14-19H2,1-3H3