[4-[(2S)-butan-2-yl]phenyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [4-[(2S)-butan-2-yl]phenyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [4-[(1S)-1-methylpropyl]phenyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid [4-[(2S)-butan-2-yl]phenyl] ester IUPAC Name: [4-[(2S)-butan-2-yl]phenyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylisonipecotic acid [4-[(1S)-1-methylpropyl]phenyl] ester Formula: C22H26FNO4S MolecularWeight: 419.509543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FNO4S/c1-3-16(2)17-4-8-20(9-5-17)28-22(25)18-12-14-24(15-13-18)29(26,27)21-10-6-19(23)7-11-21/h4-11,16,18H,3,12-15H2,1-2H3/t16-/m0/s1