ethyl 1-(3-fluorophenyl)sulfonyl-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-(3-fluorophenyl)sulfonyl-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-(3-fluorophenyl)sulfonyl-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate CAS Name: 1-(3-fluorophenyl)sulfonyl-3-[(3-methoxyphenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-fluorophenyl)sulfonyl-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate Traditional Name: 1-(3-fluorophenyl)sulfonyl-3-m-anisyl-nipecotic acid ethyl ester Formula: C22H26FNO5S MolecularWeight: 435.508943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)S(=O)(=O)C2=CC=CC(=C2)F)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)S(=O)(=O)C2=CC=CC(=C2)F)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H26FNO5S/c1-3-29-21(25)22(15-17-7-4-9-19(13-17)28-2)11-6-12-24(16-22)30(26,27)20-10-5-8-18(23)14-20/h4-5,7-10,13-14H,3,6,11-12,15-16H2,1-2H3