phenyl 4-cyclohexyl-4-[[5-methyl-2-oxidanylidene-3,5-bis(phenylmethyl)imidazolidin-1-yl]methyl]piperidine-1-sulfonate

Systemtic Name: phenyl 4-cyclohexyl-4-[[5-methyl-2-oxidanylidene-3,5-bis(phenylmethyl)imidazolidin-1-yl]methyl]piperidine-1-sulfonate Openeye Name: phenyl 4-cyclohexyl-4-[(3,5-dibenzyl-5-methyl-2-oxo-imidazolidin-1-yl)methyl]piperidine-1-sulfonate CAS Name: 4-cyclohexyl-4-[[5-methyl-2-oxo-3,5-bis(phenylmethyl)-1-imidazolidinyl]methyl]-1-piperidinesulfonic acid phenyl ester IUPAC Name: phenyl 4-cyclohexyl-4-[(3,5-dibenzyl-5-methyl-2-oxoimidazolidin-1-yl)methyl]piperidine-1-sulfonate Traditional Name: 4-cyclohexyl-4-[(3,5-dibenzyl-2-keto-5-methyl-imidazolidin-1-yl)methyl]piperidine-1-sulfonic acid phenyl ester Formula: C36H45N3O4S MolecularWeight: 615.8252

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C(=O)N1CC2(CCN(CC2)S(=O)(=O)OC3=CC=CC=C3)C4CCCCC4)CC5=CC=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

CC1(CN(C(=O)N1CC2(CCN(CC2)S(=O)(=O)OC3=CC=CC=C3)C4CCCCC4)CC5=CC=CC=C5)CC6=CC=CC=C6

InChI

InChI=1S/C36H45N3O4S/c1-35(26-30-14-6-2-7-15-30)28-37(27-31-16-8-3-9-17-31)34(40)39(35)29-36(32-18-10-4-11-19-32)22-24-38(25-23-36)44(41,42)43-33-20-12-5-13-21-33/h2-3,5-9,12-17,20-21,32H,4,10-11,18-19,22-29H2,1H3