[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxylic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonylisonipecotic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C24H28FNO5S MolecularWeight: 461.546223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCCCC(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCCCC(=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C24H28FNO5S/c1-17-5-10-22(16-18(17)2)32(29,30)26-13-11-20(12-14-26)24(28)31-15-3-4-23(27)19-6-8-21(25)9-7-19/h5-10,16,20H,3-4,11-15H2,1-2H3