(4-tert-butyl-2-methyl-phenyl) 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-tert-butyl-2-methyl-phenyl) 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-fluorophenyl)sulfonylisonipecotic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C23H28FNO4S MolecularWeight: 433.536123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C23H28FNO4S/c1-16-15-18(23(2,3)4)9-10-20(16)29-22(26)17-11-13-25(14-12-17)30(27,28)21-8-6-5-7-19(21)24/h5-10,15,17H,11-14H2,1-4H3