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

Systemtic Name: diphenyl 3-[(4-cyclohexyl-1-methylsulfanyl-piperidin-4-yl)methyl]-4-methyl-2-oxidanylidene-imidazolidine-1,4-disulfonate Openeye Name: diphenyl 3-[(4-cyclohexyl-1-methylsulfanyl-4-piperidyl)methyl]-4-methyl-2-oxo-imidazolidine-1,4-disulfonate CAS Name: 3-[[4-cyclohexyl-1-(methylthio)-4-piperidinyl]methyl]-4-methyl-2-oxoimidazolidine-1,4-disulfonic acid diphenyl ester IUPAC Name: diphenyl 3-[(4-cyclohexyl-1-methylsulfanylpiperidin-4-yl)methyl]-4-methyl-2-oxoimidazolidine-1,4-disulfonate Traditional Name: 3-[[4-cyclohexyl-1-(methylthio)-4-piperidyl]methyl]-2-keto-4-methyl-imidazolidine-1,4-disulfonic acid diphenyl ester Formula: C29H39N3O7S3 MolecularWeight: 637.83086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H39N3O7S3/c1-28(41(34,35)38-25-14-8-4-9-15-25)22-32(42(36,37)39-26-16-10-5-11-17-26)27(33)31(28)23-29(24-12-6-3-7-13-24)18-20-30(40-2)21-19-29/h4-5,8-11,14-17,24H,3,6-7,12-13,18-23H2,1-2H3