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

Systemtic Name: phenyl 3-[(1-bromanyl-4-cyclohexyl-piperidin-4-yl)methyl]-4-methyl-1-methylsulfanyl-2-oxidanylidene-imidazolidine-4-sulfonate Openeye Name: phenyl 3-[(1-bromo-4-cyclohexyl-4-piperidyl)methyl]-4-methyl-1-methylsulfanyl-2-oxo-imidazolidine-4-sulfonate CAS Name: 3-[(1-bromo-4-cyclohexyl-4-piperidinyl)methyl]-4-methyl-1-(methylthio)-2-oxo-4-imidazolidinesulfonic acid phenyl ester IUPAC Name: phenyl 3-[(1-bromo-4-cyclohexylpiperidin-4-yl)methyl]-4-methyl-1-methylsulfanyl-2-oxoimidazolidine-4-sulfonate Traditional Name: 3-[(1-bromo-4-cyclohexyl-4-piperidyl)methyl]-2-keto-4-methyl-1-(methylthio)imidazolidine-4-sulfonic acid phenyl ester Formula: C23H34BrN3O4S2 MolecularWeight: 560.56776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34BrN3O4S2/c1-22(33(29,30)31-20-11-7-4-8-12-20)17-27(32-2)21(28)26(22)18-23(13-15-25(24)16-14-23)19-9-5-3-6-10-19/h4,7-8,11-12,19H,3,5-6,9-10,13-18H2,1-2H3