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

Systemtic Name: phenyl 3-[[4-cyclohexyl-1-(2-hydroxyphenyl)piperidin-4-yl]methyl]-4-methyl-1-methylsulfanyl-2-oxidanylidene-imidazolidine-4-sulfonate Openeye Name: phenyl 3-[[4-cyclohexyl-1-(2-hydroxyphenyl)-4-piperidyl]methyl]-4-methyl-1-methylsulfanyl-2-oxo-imidazolidine-4-sulfonate CAS Name: 3-[[4-cyclohexyl-1-(2-hydroxyphenyl)-4-piperidinyl]methyl]-4-methyl-1-(methylthio)-2-oxo-4-imidazolidinesulfonic acid phenyl ester IUPAC Name: phenyl 3-[[4-cyclohexyl-1-(2-hydroxyphenyl)piperidin-4-yl]methyl]-4-methyl-1-methylsulfanyl-2-oxoimidazolidine-4-sulfonate Traditional Name: 3-[[4-cyclohexyl-1-(2-hydroxyphenyl)-4-piperidyl]methyl]-2-keto-4-methyl-1-(methylthio)imidazolidine-4-sulfonic acid phenyl ester Formula: C29H39N3O5S2 MolecularWeight: 573.76706

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C(=O)N1CC2(CCN(CC2)C3=CC=CC=C3O)C4CCCCC4)SC)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

CC1(CN(C(=O)N1CC2(CCN(CC2)C3=CC=CC=C3O)C4CCCCC4)SC)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C29H39N3O5S2/c1-28(39(35,36)37-24-13-7-4-8-14-24)21-32(38-2)27(34)31(28)22-29(23-11-5-3-6-12-23)17-19-30(20-18-29)25-15-9-10-16-26(25)33/h4,7-10,13-16,23,33H,3,5-6,11-12,17-22H2,1-2H3