2-(3,5-dimethylphenoxy)ethyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCOC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCOC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3)C

InChI

InChI=1S/C21H26N2O5S/c1-16-12-17(2)14-19(13-16)27-10-11-28-21(24)18-5-8-23(9-6-18)29(25,26)20-4-3-7-22-15-20/h3-4,7,12-15,18H,5-6,8-11H2,1-2H3