[(4S)-9-(4-chlorophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-4-yl] 4-(2-methyl-1-oxidanyl-propan-2-yl)piperazine-1-carboxylate

Systemtic Name: [(4S)-9-(4-chlorophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-4-yl] 4-(2-methyl-1-oxidanyl-propan-2-yl)piperazine-1-carboxylate Openeye Name: [(4S)-9-(4-chlorophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-4-yl] 4-(2-hydroxy-1,1-dimethyl-ethyl)piperazine-1-carboxylate CAS Name: 4-(1-hydroxy-2-methylpropan-2-yl)-1-piperazinecarboxylic acid [(4S)-9-(4-chlorophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-4-yl] ester IUPAC Name: [(4S)-9-(4-chlorophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-4-yl] 4-(1-hydroxy-2-methylpropan-2-yl)piperazine-1-carboxylate Traditional Name: 4-(2-hydroxy-1,1-dimethyl-ethyl)piperazine-1-carboxylic acid [(4S)-9-(4-chlorophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-4-yl] ester Formula: C23H34ClN3O5S MolecularWeight: 500.05116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)N1CCN(CC1)C(=O)OC2CCC3CCCC2N3S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(CO)N1CCN(CC1)C(=O)O[C@H]2CCC3CCCC2N3S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H34ClN3O5S/c1-23(2,16-28)26-14-12-25(13-15-26)22(29)32-21-11-8-18-4-3-5-20(21)27(18)33(30,31)19-9-6-17(24)7-10-19/h6-7,9-10,18,20-21,28H,3-5,8,11-16H2,1-2H3/t18?,20?,21-/m0/s1