3-phenylbutyl 1-(4-fluorophenyl)sulfonylpiperidine-2-carboxylate

Systemtic Name: 3-phenylbutyl 1-(4-fluorophenyl)sulfonylpiperidine-2-carboxylate Openeye Name: 3-phenylbutyl 1-(4-fluorophenyl)sulfonylpiperidine-2-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-2-piperidinecarboxylic acid 3-phenylbutyl ester IUPAC Name: 3-phenylbutyl 1-(4-fluorophenyl)sulfonylpiperidine-2-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylpipecolinic acid 3-phenylbutyl ester Formula: C22H26FNO4S MolecularWeight: 419.509543

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC(=O)C1CCCCN1S(=O)(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

CC(CCOC(=O)C1CCCCN1S(=O)(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C22H26FNO4S/c1-17(18-7-3-2-4-8-18)14-16-28-22(25)21-9-5-6-15-24(21)29(26,27)20-12-10-19(23)11-13-20/h2-4,7-8,10-13,17,21H,5-6,9,14-16H2,1H3