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

Systemtic Name: phenyl 3-[(4-cyclohexyl-1-fluoranyl-piperidin-4-yl)methyl]-4-methyl-2-oxidanylidene-1-(phenylsulfonyl)imidazolidine-4-sulfonate Openeye Name: phenyl 1-(benzenesulfonyl)-3-[(4-cyclohexyl-1-fluoro-4-piperidyl)methyl]-4-methyl-2-oxo-imidazolidine-4-sulfonate CAS Name: 1-(benzenesulfonyl)-3-[(4-cyclohexyl-1-fluoro-4-piperidinyl)methyl]-4-methyl-2-oxo-4-imidazolidinesulfonic acid phenyl ester IUPAC Name: phenyl 1-(benzenesulfonyl)-3-[(4-cyclohexyl-1-fluoropiperidin-4-yl)methyl]-4-methyl-2-oxoimidazolidine-4-sulfonate Traditional Name: 1-besyl-3-[(4-cyclohexyl-1-fluoro-4-piperidyl)methyl]-2-keto-4-methyl-imidazolidine-4-sulfonic acid phenyl ester Formula: C28H36FN3O6S2 MolecularWeight: 593.730343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36FN3O6S2/c1-27(40(36,37)38-24-13-7-3-8-14-24)21-32(39(34,35)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