ethyl 4-(oxan-2-ylmethyl)-1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: ethyl 4-(oxan-2-ylmethyl)-1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(benzenesulfonyl)-4-(tetrahydropyran-2-ylmethyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-(2-oxanylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(benzenesulfonyl)-4-(oxan-2-ylmethyl)piperidine-4-carboxylate Traditional Name: 1-besyl-4-(tetrahydropyran-2-ylmethyl)isonipecotic acid ethyl ester Formula: C20H29NO5S MolecularWeight: 395.51296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC=CC=C2)CC3CCCCO3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC=CC=C2)CC3CCCCO3

InChI

InChI=1S/C20H29NO5S/c1-2-25-19(22)20(16-17-8-6-7-15-26-17)11-13-21(14-12-20)27(23,24)18-9-4-3-5-10-18/h3-5,9-10,17H,2,6-8,11-16H2,1H3