diphenyl 3-[(4-cyclohexyl-1-iodanyl-piperidin-4-yl)methyl]-4-methyl-2-oxidanylidene-imidazolidine-1,4-disulfonate

Systemtic Name: diphenyl 3-[(4-cyclohexyl-1-iodanyl-piperidin-4-yl)methyl]-4-methyl-2-oxidanylidene-imidazolidine-1,4-disulfonate Openeye Name: diphenyl 3-[(4-cyclohexyl-1-iodo-4-piperidyl)methyl]-4-methyl-2-oxo-imidazolidine-1,4-disulfonate CAS Name: 3-[(4-cyclohexyl-1-iodo-4-piperidinyl)methyl]-4-methyl-2-oxoimidazolidine-1,4-disulfonic acid diphenyl ester IUPAC Name: diphenyl 3-[(4-cyclohexyl-1-iodopiperidin-4-yl)methyl]-4-methyl-2-oxoimidazolidine-1,4-disulfonate Traditional Name: 3-[(4-cyclohexyl-1-iodo-4-piperidyl)methyl]-2-keto-4-methyl-imidazolidine-1,4-disulfonic acid diphenyl ester Formula: C28H36IN3O7S2 MolecularWeight: 717.63581

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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)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

CC1(CN(C(=O)N1CC2(CCN(CC2)I)C3CCCCC3)S(=O)(=O)OC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C28H36IN3O7S2/c1-27(40(34,35)38-24-13-7-3-8-14-24)21-32(41(36,37)39-25-15-9-4-10-16-25)26(33)31(27)22-28(17-19-30(29)20-18-28)23-11-5-2-6-12-23/h3-4,7-10,13-16,23H,2,5-6,11-12,17-22H2,1H3