(phenylmethyl) 4-(4-fluorophenyl)-3-[(4-methylphenyl)carbonylsulfonyloxymethyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(4-fluorophenyl)-3-[(4-methylphenyl)carbonylsulfonyloxymethyl]piperidine-1-carboxylate Openeye Name: benzyl 4-(4-fluorophenyl)-3-[(4-methylbenzoyl)sulfonyloxymethyl]piperidine-1-carboxylate CAS Name: 4-(4-fluorophenyl)-3-[[(4-methylphenyl)-oxomethyl]sulfonyloxymethyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-fluorophenyl)-3-[(4-methylbenzoyl)sulfonyloxymethyl]piperidine-1-carboxylate Traditional Name: 4-(4-fluorophenyl)-3-(p-toluoylsulfonyloxymethyl)piperidine-1-carboxylic acid benzyl ester Formula: C28H28FNO6S MolecularWeight: 525.588423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)S(=O)(=O)OCC2CN(CCC2C3=CC=C(C=C3)F)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)S(=O)(=O)OCC2CN(CCC2C3=CC=C(C=C3)F)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H28FNO6S/c1-20-7-9-23(10-8-20)27(31)37(33,34)36-19-24-17-30(28(32)35-18-21-5-3-2-4-6-21)16-15-26(24)22-11-13-25(29)14-12-22/h2-14,24,26H,15-19H2,1H3