(3-methyl-4-propan-2-yl-phenyl) 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (3-methyl-4-propan-2-yl-phenyl) 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-isopropyl-3-methyl-phenyl) 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid (3-methyl-4-propan-2-ylphenyl) ester IUPAC Name: (3-methyl-4-propan-2-ylphenyl) 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylisonipecotic acid (4-isopropyl-3-methyl-phenyl) ester Formula: C22H26FNO4S MolecularWeight: 419.509543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C(C)C

InChI

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