ethyl 4-(oxan-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 4-(oxan-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-piperidine-4-carboxylate Openeye Name: ethyl 4-(tetrahydropyran-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-piperidine-4-carboxylate CAS Name: 4-(2-oxanylmethyl)-1-[(1,3,5-trimethyl-4-pyrazolyl)sulfonyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(oxan-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 4-(tetrahydropyran-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-isonipecotic acid ethyl ester Formula: C20H33N3O5S MolecularWeight: 427.55812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=C(N(N=C2C)C)C)CC3CCCCO3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=C(N(N=C2C)C)C)CC3CCCCO3

InChI

InChI=1S/C20H33N3O5S/c1-5-27-19(24)20(14-17-8-6-7-13-28-17)9-11-23(12-10-20)29(25,26)18-15(2)21-22(4)16(18)3/h17H,5-14H2,1-4H3