(2-methyl-5-propan-2-yl-phenyl) 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (2-methyl-5-propan-2-yl-phenyl) 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (5-isopropyl-2-methyl-phenyl) 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid (2-methyl-5-propan-2-ylphenyl) ester IUPAC Name: (2-methyl-5-propan-2-ylphenyl) 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylisonipecotic acid (5-isopropyl-2-methyl-phenyl) ester Formula: C22H26FNO4S MolecularWeight: 419.509543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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