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

Systemtic Name: phenyl 3-[[4-cyclohexyl-1-(phenylmethyl)piperidin-4-yl]methyl]-4-methyl-2-oxidanylidene-4-(phenylmethyl)imidazolidine-1-sulfonate Openeye Name: phenyl 4-benzyl-3-[(1-benzyl-4-cyclohexyl-4-piperidyl)methyl]-4-methyl-2-oxo-imidazolidine-1-sulfonate CAS Name: 3-[[4-cyclohexyl-1-(phenylmethyl)-4-piperidinyl]methyl]-4-methyl-2-oxo-4-(phenylmethyl)-1-imidazolidinesulfonic acid phenyl ester IUPAC Name: phenyl 4-benzyl-3-[(1-benzyl-4-cyclohexylpiperidin-4-yl)methyl]-4-methyl-2-oxoimidazolidine-1-sulfonate Traditional Name: 4-benzyl-3-[(1-benzyl-4-cyclohexyl-4-piperidyl)methyl]-2-keto-4-methyl-imidazolidine-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)CC3=CC=CC=C3)C4CCCCC4)S(=O)(=O)OC5=CC=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

CC1(CN(C(=O)N1CC2(CCN(CC2)CC3=CC=CC=C3)C4CCCCC4)S(=O)(=O)OC5=CC=CC=C5)CC6=CC=CC=C6

InChI

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