ethyl 4-(oxan-2-ylmethyl)-1-(phenylmethyl)sulfonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 4-(oxan-2-ylmethyl)-1-(phenylmethyl)sulfonyl-piperidine-4-carboxylate Openeye Name: ethyl 1-benzylsulfonyl-4-(tetrahydropyran-2-ylmethyl)piperidine-4-carboxylate CAS Name: 4-(2-oxanylmethyl)-1-(phenylmethyl)sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzylsulfonyl-4-(oxan-2-ylmethyl)piperidine-4-carboxylate Traditional Name: 1-benzylsulfonyl-4-(tetrahydropyran-2-ylmethyl)isonipecotic acid ethyl ester Formula: C21H31NO5S MolecularWeight: 409.53954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)S(=O)(=O)CC2=CC=CC=C2)CC3CCCCO3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)S(=O)(=O)CC2=CC=CC=C2)CC3CCCCO3

InChI

InChI=1S/C21H31NO5S/c1-2-26-20(23)21(16-19-10-6-7-15-27-19)11-13-22(14-12-21)28(24,25)17-18-8-4-3-5-9-18/h3-5,8-9,19H,2,6-7,10-17H2,1H3