methyl 1-(5-fluoranyl-2-methyl-phenyl)sulfonyl-4-phenyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-(5-fluoranyl-2-methyl-phenyl)sulfonyl-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-(5-fluoro-2-methyl-phenyl)sulfonyl-4-phenyl-piperidine-4-carboxylate CAS Name: 1-(5-fluoro-2-methylphenyl)sulfonyl-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(5-fluoro-2-methylphenyl)sulfonyl-4-phenylpiperidine-4-carboxylate Traditional Name: 1-(5-fluoro-2-methyl-phenyl)sulfonyl-4-phenyl-isonipecotic acid methyl ester Formula: C20H22FNO4S MolecularWeight: 391.456383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FNO4S/c1-15-8-9-17(21)14-18(15)27(24,25)22-12-10-20(11-13-22,19(23)26-2)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3